4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 110647654

IUPAC4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NCC1CCCO1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-13-11(15)10(8)12(16)14-7-9-3-2-6-17-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyMWQWCPONZWHDMH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.59
Rot. Bonds3

About 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide

4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 110647654) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID110647654
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NCC1CCCO1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-13-11(15)10(8)12(16)14-7-9-3-2-6-17-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyMWQWCPONZWHDMH-UHFFFAOYSA-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

2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911219
6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95976180
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110014889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 110647654) is 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide is Cc1cc[nH]c(=O)c1C(=O)NCC1CCCO1.
What is the InChIKey of 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MWQWCPONZWHDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-5-13-11(15)10(8)12(16)14-7-9-3-2-6-17-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-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 4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110647654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).