N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide

C17H28N2O2 — CID 125491426

IUPACN-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCC[C@H](CC)NC(=O)c1cc(C)c(CCC)[nH]c1=O
InChIInChI=1S/C17H28N2O2/c1-5-8-10-13(7-3)18-16(20)14-11-12(4)15(9-6-2)19-17(14)21/h11,13H,5-10H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyZWVXIMBOWHYCSQ-ZDUSSCGKSA-N
MW292.42 g/mol
LogP3.33
Rot. Bonds8

About N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide

N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide (PubChem CID 125491426) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
PubChem CID125491426
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCC[C@H](CC)NC(=O)c1cc(C)c(CCC)[nH]c1=O
InChIInChI=1S/C17H28N2O2/c1-5-8-10-13(7-3)18-16(20)14-11-12(4)15(9-6-2)19-17(14)21/h11,13H,5-10H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyZWVXIMBOWHYCSQ-ZDUSSCGKSA-N
XLogP3.33
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490566
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
CID 125490211
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490774
(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
CID 125163140
(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 126434441
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide (CID 125491426) is N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide is CCCC[C@H](CC)NC(=O)c1cc(C)c(CCC)[nH]c1=O.
What is the InChIKey of N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The InChIKey is ZWVXIMBOWHYCSQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-8-10-13(7-3)18-16(20)14-11-12(4)15(9-6-2)19-17(14)21/h11,13H,5-10H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).