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

C172H235N19O31 — CID 159065832

IUPAC1-(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
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.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.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.COc1cccc(CC(=O)CC(C)C)n1.COc1ccnc(CC(=O)CC(C)C)c1
InChIInChI=1S/2C13H18N2O2.3C13H17NO3.3C12H16N2O2.5C12H17NO2.C11H15NO2/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;1-10(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)7-11(14)8-10-5-4-6-12(13-10)15-3;1-8(2)5-11(14)6-9-3-4-10(13)7-12-9/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;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;4-6,9H,7-8H2,1-3H3;3-4,7-8,13H,5-6H2,1-2H3
InChIKeyJZASGYNYJLCBKJ-UHFFFAOYSA-N
MW3064.87 g/mol
LogP27.07
Rot. Bonds77

About 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

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 (PubChem CID 159065832) has the molecular formula C172H235N19O31 and a molecular weight of 3064.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159065832
Molecular FormulaC172H235N19O31
Molecular Weight3064.87 g/mol
Exact Mass3062.74
IUPAC Name1-(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
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.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.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.COc1cccc(CC(=O)CC(C)C)n1.COc1ccnc(CC(=O)CC(C)C)c1
InChIInChI=1S/2C13H18N2O2.3C13H17NO3.3C12H16N2O2.5C12H17NO2.C11H15NO2/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;1-10(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)7-11(14)8-10-5-4-6-12(13-10)15-3;1-8(2)5-11(14)6-9-3-4-10(13)7-12-9/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;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;4-6,9H,7-8H2,1-3H3;3-4,7-8,13H,5-6H2,1-2H3
InChIKeyJZASGYNYJLCBKJ-UHFFFAOYSA-N
XLogP27.07
TPSA724.21 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds77
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003064.87
LogP ≤ 527.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

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-(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 with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2-[2-[2-(6-acetamido-3-pyridinyl)-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 123161154
Methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 123986562
2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 161126112
2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 161726574
2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(2-imidazol-1-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 162137599
N-[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 16065142
6-methoxy-[1,5]naphthyridine-3-carboxylic acid trans-4-[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbonyl)-amino]-cyclohexylmethyl ester
CID 46852541
6-[3-[4-[[6-[[4-(Piperidin-1-ylmethyl)benzoyl]amino]-3-pyridinyl]oxycarbonyl]piperazin-1-yl]propyl]pyridine-3-carboxylic acid
CID 69541169
6-[3-[4-[[6-[[4-(Morpholin-4-ylmethyl)benzoyl]amino]-3-pyridinyl]oxycarbonyl]piperazin-1-yl]propyl]pyridine-3-carboxylic acid
CID 69541283
N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-methylpiperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide;3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxylic acid
CID 69656824
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
CID 157147984
CID 157147984

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.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.COc1cccc(CC(=O)CC(C)C)n1.COc1ccnc(CC(=O)CC(C)C)c1.
What is the InChIKey of 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?
The InChIKey is JZASGYNYJLCBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2O2.3C13H17NO3.3C12H16N2O2.5C12H17NO2.C11H15NO2/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;1-10(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)7-11(14)8-10-5-4-6-12(13-10)15-3;1-8(2)5-11(14)6-9-3-4-10(13)7-12-9/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;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;4-6,9H,7-8H2,1-3H3;3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3064.87 g/mol, XLogP of 27.07, 77 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159065832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).