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

C17H28N2O2 — CID 125491124

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

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

N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide (PubChem CID 125491124) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
PubChem CID125491124
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCCC[C@H](C)NC(=O)c1cc(C)c(CCC)[nH]c1=O
InChIInChI=1S/C17H28N2O2/c1-5-7-8-10-13(4)18-16(20)14-11-12(3)15(9-6-2)19-17(14)21/h11,13H,5-10H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyOYQJQPDZDLFRPZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491426
6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490774
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490566
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125490940
6-ethyl-5-iodo-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125491217
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide (CID 125491124) is N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide is CCCCC[C@H](C)NC(=O)c1cc(C)c(CCC)[nH]c1=O.
What is the InChIKey of N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The InChIKey is OYQJQPDZDLFRPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-7-8-10-13(4)18-16(20)14-11-12(3)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-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
N-[(2S)-heptan-2-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-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).