5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C16H26N2O2 — CID 125490337

IUPAC5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCC[C@H](C)NC(=O)c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C16H26N2O2/c1-5-6-7-8-9-12(3)17-15(19)14-10-11(2)13(4)18-16(14)20/h10,12H,5-9H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyAHPLXNDRHNAKPW-LBPRGKRZSA-N
MW278.40 g/mol
LogP3.08
Rot. Bonds7

About 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125490337) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125490337
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCC[C@H](C)NC(=O)c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C16H26N2O2/c1-5-6-7-8-9-12(3)17-15(19)14-10-11(2)13(4)18-16(14)20/h10,12H,5-9H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyAHPLXNDRHNAKPW-LBPRGKRZSA-N
XLogP3.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.08
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

5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490774
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491426
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 125490337) is 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CCCCCC[C@H](C)NC(=O)c1cc(C)c(C)[nH]c1=O.
What is the InChIKey of 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AHPLXNDRHNAKPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-7-8-9-12(3)17-15(19)14-10-11(2)13(4)18-16(14)20/h10,12H,5-9H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).