1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one

C176H242N24O32 — CID 158489978

IUPAC1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cc(C(N)=O)ccn1.CC(C)CC(=O)Cc1ccc(COC=O)cn1.CC(C)CC(=O)Cc1ccc(NC=O)cn1.CC(C)CC(=O)Cc1ccc(O)cn1.CC(C)CC(=O)Cc1cccc(COC=O)n1.CC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.COC(=O)c1cccnc1CC(=O)CC(C)C.COC(=O)c1ccnc(CC(=O)CC(C)C)c1.COc1ccc(CC(=O)CC(C)C)nc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C
InChIInChI=1S/C13H18N2O2.4C13H17NO3.2C12H16N2O2.C12H17NO2.4C11H16N2O2.C11H15NO2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-9(2)6-12(15)8-11-7-10(4-5-14-11)13(16)17-3;1-9(2)7-10(15)8-12-11(13(16)17-3)5-4-6-14-12;1-10(2)5-13(16)6-12-4-3-11(7-14-12)8-17-9-15;1-10(2)6-13(16)7-11-4-3-5-12(14-11)8-17-9-15;1-9(2)5-12(16)6-10-3-4-11(7-13-10)14-8-15;1-8(2)5-11(15)7-10-6-9(12(13)16)3-4-14-10;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-8(2)5-11(14)6-9-3-4-10(13)7-12-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,17);4-5,7,9H,6,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-5,9-10H,6-8H2,1-2H3;3-4,7-9H,5-6H2,1-2H3,(H,14,15);3-4,6,8H,5,7H2,1-2H3,(H2,13,16);4-5,8-9H,6-7H2,1-3H3;3*6-8H,4-5H2,1-3H3;4-5,8H,6-7H2,1-3H3;3-4,7-8,13H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyHIOPWWGWGPBTGG-UHFFFAOYSA-N
MW3206.01 g/mol
LogP26.65
Rot. Bonds77

About 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one

1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one (PubChem CID 158489978) has the molecular formula C176H242N24O32 and a molecular weight of 3206.01 g/mol. Its IUPAC name is 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
PubChem CID158489978
Molecular FormulaC176H242N24O32
Molecular Weight3206.01 g/mol
Exact Mass3203.80
IUPAC Name1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cc(C(N)=O)ccn1.CC(C)CC(=O)Cc1ccc(COC=O)cn1.CC(C)CC(=O)Cc1ccc(NC=O)cn1.CC(C)CC(=O)Cc1ccc(O)cn1.CC(C)CC(=O)Cc1cccc(COC=O)n1.CC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.COC(=O)c1cccnc1CC(=O)CC(C)C.COC(=O)c1ccnc(CC(=O)CC(C)C)c1.COc1ccc(CC(=O)CC(C)C)nc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C
InChIInChI=1S/C13H18N2O2.4C13H17NO3.2C12H16N2O2.C12H17NO2.4C11H16N2O2.C11H15NO2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-9(2)6-12(15)8-11-7-10(4-5-14-11)13(16)17-3;1-9(2)7-10(15)8-12-11(13(16)17-3)5-4-6-14-12;1-10(2)5-13(16)6-12-4-3-11(7-14-12)8-17-9-15;1-10(2)6-13(16)7-11-4-3-5-12(14-11)8-17-9-15;1-9(2)5-12(16)6-10-3-4-11(7-13-10)14-8-15;1-8(2)5-11(15)7-10-6-9(12(13)16)3-4-14-10;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-8(2)5-11(14)6-9-3-4-10(13)7-12-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,17);4-5,7,9H,6,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-5,9-10H,6-8H2,1-2H3;3-4,7-9H,5-6H2,1-2H3,(H,14,15);3-4,6,8H,5,7H2,1-2H3,(H2,13,16);4-5,8-9H,6-7H2,1-3H3;3*6-8H,4-5H2,1-3H3;4-5,8H,6-7H2,1-3H3;3-4,7-8,13H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyHIOPWWGWGPBTGG-UHFFFAOYSA-N
XLogP26.65
TPSA799.61 Ų
H-Bond Donors4
H-Bond Acceptors53
Rotatable Bonds77
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003206.01
LogP ≤ 526.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 157112565
1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide
CID 157392123
1,3-Benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one
CID 157464442
1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
CID 157659591
2-Amino-6-propan-2-ylpyridine-3-carboxylic acid;2,3-dimethyl-6-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;4,5-dimethyl-2-propan-2-ylpyrimidine;4,6-dimethyl-2-propan-2-ylpyrimidine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-6-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;3-methoxy-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyrimidine);4-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyrimidine-5-carboxylic acid
CID 157976598
1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 158119568
3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane
CID 158164168
1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(4-isocyanopyrimidin-2-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(6-methoxypyrimidin-4-yl)-4-methylpentan-2-one;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;4-(4-methyl-2-oxopentyl)pyrimidine-5-carbonitrile;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 158602561
1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
CID 158706019
1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate
CID 159065832
2-Tert-butylaniline;4-tert-butyl-3-methoxypyridine;3-tert-butyl-6-methylpyridazine;4-tert-butyl-2-methylpyridine;hexakis(5-tert-butyl-2-methylpyridine);bis(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;5-tert-butylpyrimidine;methane
CID 159120629
1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-2-pyridinyl]formamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate
CID 159160107

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?
The IUPAC name of 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one (CID 158489978) is 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?
The canonical SMILES for 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one is CC(C)CC(=O)Cc1cc(C(N)=O)ccn1.CC(C)CC(=O)Cc1ccc(COC=O)cn1.CC(C)CC(=O)Cc1ccc(NC=O)cn1.CC(C)CC(=O)Cc1ccc(O)cn1.CC(C)CC(=O)Cc1cccc(COC=O)n1.CC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.COC(=O)c1cccnc1CC(=O)CC(C)C.COC(=O)c1ccnc(CC(=O)CC(C)C)c1.COc1ccc(CC(=O)CC(C)C)nc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C.
What is the InChIKey of 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?
The InChIKey is HIOPWWGWGPBTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.4C13H17NO3.2C12H16N2O2.C12H17NO2.4C11H16N2O2.C11H15NO2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-9(2)6-12(15)8-11-7-10(4-5-14-11)13(16)17-3;1-9(2)7-10(15)8-12-11(13(16)17-3)5-4-6-14-12;1-10(2)5-13(16)6-12-4-3-11(7-14-12)8-17-9-15;1-10(2)6-13(16)7-11-4-3-5-12(14-11)8-17-9-15;1-9(2)5-12(16)6-10-3-4-11(7-13-10)14-8-15;1-8(2)5-11(15)7-10-6-9(12(13)16)3-4-14-10;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-8(2)5-11(14)6-9-3-4-10(13)7-12-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,17);4-5,7,9H,6,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-5,9-10H,6-8H2,1-2H3;3-4,7-9H,5-6H2,1-2H3,(H,14,15);3-4,6,8H,5,7H2,1-2H3,(H2,13,16);4-5,8-9H,6-7H2,1-3H3;3*6-8H,4-5H2,1-3H3;4-5,8H,6-7H2,1-3H3;3-4,7-8,13H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?
1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one has a molecular weight of 3206.01 g/mol, XLogP of 26.65, 77 rotatable bonds, 4 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one is sourced from PubChem (CID 158489978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).