6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide

C15H22N2O2 — CID 132942332

IUPAC6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide
SMILESCCCC(=O)[C@H](CCC)NC(=O)c1cccc(C)n1
InChIInChI=1S/C15H22N2O2/c1-4-7-12(14(18)8-5-2)17-15(19)13-10-6-9-11(3)16-13/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyROXIUHBTTHTDNS-LBPRGKRZSA-N
MW262.35 g/mol
LogP2.66
Rot. Bonds7

About 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide

6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide (PubChem CID 132942332) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide
PubChem CID132942332
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide
SMILESCCCC(=O)[C@H](CCC)NC(=O)c1cccc(C)n1
InChIInChI=1S/C15H22N2O2/c1-4-7-12(14(18)8-5-2)17-15(19)13-10-6-9-11(3)16-13/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyROXIUHBTTHTDNS-LBPRGKRZSA-N
XLogP2.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
CID 103528407
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 106355356
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 131183457
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 114177913
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide (CID 132942332) is 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide is CCCC(=O)[C@H](CCC)NC(=O)c1cccc(C)n1.
What is the InChIKey of 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide?
The InChIKey is ROXIUHBTTHTDNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-7-12(14(18)8-5-2)17-15(19)13-10-6-9-11(3)16-13/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide?
6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 132942332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).