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

C18H20N2O3 — CID 52511157

IUPAC2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc[nH]c1=O
InChIInChI=1S/C18H20N2O3/c21-17-15(9-4-10-19-17)18(22)20-12-14-8-5-11-23-16(14)13-6-2-1-3-7-13/h1-4,6-7,9-10,14,16H,5,8,11-12H2,(H,19,21)(H,20,22)/t14-,16+/m1/s1
InChIKeySWHHJXAESALJJE-ZBFHGGJFSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds4

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

2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 52511157) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID52511157
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc[nH]c1=O
InChIInChI=1S/C18H20N2O3/c21-17-15(9-4-10-19-17)18(22)20-12-14-8-5-11-23-16(14)13-6-2-1-3-7-13/h1-4,6-7,9-10,14,16H,5,8,11-12H2,(H,19,21)(H,20,22)/t14-,16+/m1/s1
InChIKeySWHHJXAESALJJE-ZBFHGGJFSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-phenyloxan-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47076950
2-oxo-N-[(2S,3R)-2-phenyloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 96570780
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129002182
4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
CID 86843823
N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 136527096
2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
CID 51949056
5-methyl-N-[(2-phenyloxan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119741480
N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119741526
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide
CID 119741497

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 52511157) is 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is SWHHJXAESALJJE-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-15(9-4-10-19-17)18(22)20-12-14-8-5-11-23-16(14)13-6-2-1-3-7-13/h1-4,6-7,9-10,14,16H,5,8,11-12H2,(H,19,21)(H,20,22)/t14-,16+/m1/s1.
What are the key properties of 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 52511157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).