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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one

C250H345N31O44 — CID 159499873

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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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(CNC=O)cn1.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)Cc1cccc(NC=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.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1
InChIInChI=1S/2C13H18N2O2.4C13H17NO3.3C12H16N2O2.6C12H17NO2.3C11H16N2O2.C11H15NO2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;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(16)7-10-4-3-5-12(14-10)13-8-15;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3;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)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);3-4,8-10H,5-7H2,1-2H3,(H,14,16);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);3-5,8-9H,6-7H2,1-2H3,(H,13,14,15);4*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;2*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
InChIKeyLZGAOTVBOBKVAZ-UHFFFAOYSA-N
MW4488.68 g/mol
LogP39.54
Rot. Bonds110

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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one (PubChem CID 159499873) has the molecular formula C250H345N31O44 and a molecular weight of 4488.68 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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
PubChem CID159499873
Molecular FormulaC250H345N31O44
Molecular Weight4488.68 g/mol
Exact Mass4485.57
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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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(CNC=O)cn1.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)Cc1cccc(NC=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.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1
InChIInChI=1S/2C13H18N2O2.4C13H17NO3.3C12H16N2O2.6C12H17NO2.3C11H16N2O2.C11H15NO2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;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(16)7-10-4-3-5-12(14-10)13-8-15;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3;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)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);3-4,8-10H,5-7H2,1-2H3,(H,14,16);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);3-5,8-9H,6-7H2,1-2H3,(H,13,14,15);4*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;2*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
InChIKeyLZGAOTVBOBKVAZ-UHFFFAOYSA-N
XLogP39.54
TPSA1061.60 Ų
H-Bond Donors6
H-Bond Acceptors70
Rotatable Bonds110
Heavy Atoms325
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004488.68
LogP ≤ 539.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1070

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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one with MolForge

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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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one (CID 159499873) 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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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(CNC=O)cn1.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)Cc1cccc(NC=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.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.
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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?
The InChIKey is LZGAOTVBOBKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2O2.4C13H17NO3.3C12H16N2O2.6C12H17NO2.3C11H16N2O2.C11H15NO2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;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(16)7-10-4-3-5-12(14-10)13-8-15;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3;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)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);3-4,8-10H,5-7H2,1-2H3,(H,14,16);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);3-5,8-9H,6-7H2,1-2H3,(H,13,14,15);4*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;2*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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one has a molecular weight of 4488.68 g/mol, XLogP of 39.54, 110 rotatable bonds, 6 hydrogen bond donors, and 70 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-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-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-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;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one is sourced from PubChem (CID 159499873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).