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

C18H30N2O2 — CID 125490774

IUPAC6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(CCC)c(C)[nH]c1=O
InChIInChI=1S/C18H30N2O2/c1-5-7-8-9-11-13(3)19-17(21)16-12-15(10-6-2)14(4)20-18(16)22/h12-13H,5-11H2,1-4H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyHRDBNLNHBDYLKI-CYBMUJFWSA-N
MW306.45 g/mol
LogP3.72
Rot. Bonds9

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

6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide (PubChem CID 125490774) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
PubChem CID125490774
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(CCC)c(C)[nH]c1=O
InChIInChI=1S/C18H30N2O2/c1-5-7-8-9-11-13(3)19-17(21)16-12-15(10-6-2)14(4)20-18(16)22/h12-13H,5-11H2,1-4H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyHRDBNLNHBDYLKI-CYBMUJFWSA-N
XLogP3.72
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.72
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

5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
N-(cyanomethyl)-6-methyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490546
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
CID 125490211
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491426
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide (CID 125490774) is 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide is CCCCCC[C@@H](C)NC(=O)c1cc(CCC)c(C)[nH]c1=O.
What is the InChIKey of 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
The InChIKey is HRDBNLNHBDYLKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-7-8-9-11-13(3)19-17(21)16-12-15(10-6-2)14(4)20-18(16)22/h12-13H,5-11H2,1-4H3,(H,19,21)(H,20,22)/t13-/m1/s1.
What are the key properties of 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).