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

C12H16N2O3 — CID 95976180

IUPAC6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H]2CCCO2)c(=O)[nH]1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-10(12(16)14-8)11(15)13-7-9-3-2-6-17-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyOMCSNEVFVWQJHK-SECBINFHSA-N
MW236.27 g/mol
LogP0.59
Rot. Bonds3

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

6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 95976180) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID95976180
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H]2CCCO2)c(=O)[nH]1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-10(12(16)14-8)11(15)13-7-9-3-2-6-17-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyOMCSNEVFVWQJHK-SECBINFHSA-N
XLogP0.59
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 110647654
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911219
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (CID 95976180) is 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@H]2CCCO2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is OMCSNEVFVWQJHK-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-5-10(12(16)14-8)11(15)13-7-9-3-2-6-17-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)/t9-/m1/s1.
What are the key properties of 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).