N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C17H18N2O3 — CID 129396964

IUPACN-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H18N2O3/c20-16(18-13-7-4-10-22-11-13)14-8-9-15(19-17(14)21)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyNYGLCTCQGMSIGF-ZDUSSCGKSA-N
MW298.34 g/mol
LogP1.95
Rot. Bonds3

About N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 129396964) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID129396964
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H18N2O3/c20-16(18-13-7-4-10-22-11-13)14-8-9-15(19-17(14)21)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyNYGLCTCQGMSIGF-ZDUSSCGKSA-N
XLogP1.95
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-oxo-N-(oxolan-3-yl)-5-phenyl-1H-pyridine-3-carboxamide
CID 119033513
N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 119620529
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361
N-(2-methylcyclohexyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497911
N-cyclohexyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497312
N-(2-methylpiperidin-3-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120574115
N-(2-methylpiperidin-3-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
CID 120574114
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-(3-methylpiperidin-4-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120553539
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
CID 82829580
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 129396964) is N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is O=C(N[C@H]1CCCOC1)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is NYGLCTCQGMSIGF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(18-13-7-4-10-22-11-13)14-8-9-15(19-17(14)21)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129396964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).