5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide

C20H31N3O3 — CID 26333635

IUPAC5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCCCCCC2)c1=O
InChIInChI=1S/C20H31N3O3/c1-15(2)9-12-22-13-16(19(25)21-3)18(24)17(14-22)20(26)23-10-7-5-4-6-8-11-23/h13-15H,4-12H2,1-3H3,(H,21,25)
InChIKeyPECCFNIAIWFZAE-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.66
Rot. Bonds5

About 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide

5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide (PubChem CID 26333635) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
PubChem CID26333635
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCCCCCC2)c1=O
InChIInChI=1S/C20H31N3O3/c1-15(2)9-12-22-13-16(19(25)21-3)18(24)17(14-22)20(26)23-10-7-5-4-6-8-11-23/h13-15H,4-12H2,1-3H3,(H,21,25)
InChIKeyPECCFNIAIWFZAE-UHFFFAOYSA-N
XLogP2.66
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
CID 26317818
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896
5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26397027
N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
CID 42463229
5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 42429564
N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 26357909
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
CID 26341265
5-(azepane-1-carbonyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 45187492
3-(azepane-1-carbonyl)-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyridin-4-one
CID 42485215
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 26340325
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147

Frequently Asked Questions

What is the IUPAC name of 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide (CID 26333635) is 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide is CNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCCCCCC2)c1=O.
What is the InChIKey of 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The InChIKey is PECCFNIAIWFZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15(2)9-12-22-13-16(19(25)21-3)18(24)17(14-22)20(26)23-10-7-5-4-6-8-11-23/h13-15H,4-12H2,1-3H3,(H,21,25).
What are the key properties of 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26333635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).