2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide

C18H20N2O3 — CID 129003457

IUPAC2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H20N2O3/c1-12-9-15(10-16(21)20-12)18(22)19-11-14-7-8-23-17(14)13-5-3-2-4-6-13/h2-6,9-10,14,17H,7-8,11H2,1H3,(H,19,22)(H,20,21)/t14-,17-/m1/s1
InChIKeyZLCRFKONYUKKDS-RHSMWYFYSA-N
MW312.37 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide

2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide (PubChem CID 129003457) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide
PubChem CID129003457
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H20N2O3/c1-12-9-15(10-16(21)20-12)18(22)19-11-14-7-8-23-17(14)13-5-3-2-4-6-13/h2-6,9-10,14,17H,7-8,11H2,1H3,(H,19,22)(H,20,21)/t14-,17-/m1/s1
InChIKeyZLCRFKONYUKKDS-RHSMWYFYSA-N
XLogP2.19
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide with MolForge

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Related Compounds

N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylmethoxypiperidine-1-carboxamide
CID 75462276
1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 38557709
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
5-(4-((benzyloxy)methyl)piperidine-1-carbonyl)pyridin-2(1H)-one
CID 49677763
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-methoxy-2-phenylethyl)urea
CID 72050246
6-nonyl-4-phenylmethoxy-1H-pyridin-2-one
CID 178310753
N-[rac-(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]hept-6-yl]-6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91762788
N-[cis-4-(benzyloxy)tetrahydro-2H-pyran-3-yl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 90647374
6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 71993202
1-Ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 86769510
6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976852
N-[2-(4-fluorophenyl)oxan-4-yl]-N,2-dimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 121567065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide (CID 129003457) is 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide?
The InChIKey is ZLCRFKONYUKKDS-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-9-15(10-16(21)20-12)18(22)19-11-14-7-8-23-17(14)13-5-3-2-4-6-13/h2-6,9-10,14,17H,7-8,11H2,1H3,(H,19,22)(H,20,21)/t14-,17-/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide?
2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 129003457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).