6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide

C14H14N2O2 — CID 2090847

IUPAC6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H14N2O2/c17-13-7-6-12(10-16-13)14(18)15-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,18)(H,16,17)
InChIKeyMUXBDEHEXHLDJR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.35
Rot. Bonds4

About 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide

6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide (PubChem CID 2090847) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
PubChem CID2090847
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H14N2O2/c17-13-7-6-12(10-16-13)14(18)15-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,18)(H,16,17)
InChIKeyMUXBDEHEXHLDJR-UHFFFAOYSA-N
XLogP1.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 17406782
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide
CID 110612295
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 107861304
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47189186
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110630880

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide (CID 2090847) is 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MUXBDEHEXHLDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-7-6-12(10-16-13)14(18)15-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,18)(H,16,17).
What are the key properties of 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2090847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).