1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide

C20H29ClN2O4 — CID 142970361

IUPAC1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(/C=C(\C)Cl)c(C)cc(C(=O)NC2(C(O)O)CCCC2)c1=O
InChIInChI=1S/C20H29ClN2O4/c1-4-5-10-23-16(12-14(3)21)13(2)11-15(18(23)25)17(24)22-20(19(26)27)8-6-7-9-20/h11-12,19,26-27H,4-10H2,1-3H3,(H,22,24)/b14-12+
InChIKeyUZCAFLLJQZCWBK-WYMLVPIESA-N
MW396.92 g/mol
LogP2.91
Rot. Bonds7

About 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide

1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide (PubChem CID 142970361) has the molecular formula C20H29ClN2O4 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide
PubChem CID142970361
Molecular FormulaC20H29ClN2O4
Molecular Weight396.92 g/mol
Exact Mass396.18
IUPAC Name1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(/C=C(\C)Cl)c(C)cc(C(=O)NC2(C(O)O)CCCC2)c1=O
InChIInChI=1S/C20H29ClN2O4/c1-4-5-10-23-16(12-14(3)21)13(2)11-15(18(23)25)17(24)22-20(19(26)27)8-6-7-9-20/h11-12,19,26-27H,4-10H2,1-3H3,(H,22,24)/b14-12+
InChIKeyUZCAFLLJQZCWBK-WYMLVPIESA-N
XLogP2.91
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67520083
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23587830
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 69474590
2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150762523
methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 69473584
1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 142970273
1-butyl-5-ethyl-2-oxo-N-propan-2-yl-6-propylpyridine-3-carboxamide
CID 59718789
1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69472195
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515
2-butyl-6,7-difluoro-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171999515
1-butyl-N-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide (CID 142970361) is 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide is CCCCn1c(/C=C(\C)Cl)c(C)cc(C(=O)NC2(C(O)O)CCCC2)c1=O.
What is the InChIKey of 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is UZCAFLLJQZCWBK-WYMLVPIESA-N. The full InChI is InChI=1S/C20H29ClN2O4/c1-4-5-10-23-16(12-14(3)21)13(2)11-15(18(23)25)17(24)22-20(19(26)27)8-6-7-9-20/h11-12,19,26-27H,4-10H2,1-3H3,(H,22,24)/b14-12+.
What are the key properties of 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide?
1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-[(E)-2-chloroprop-1-enyl]-N-[1-(dihydroxymethyl)cyclopentyl]-5-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 142970361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).