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

C14H13ClN2O2 — CID 110852311

IUPAC5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-12-8-11(9-17-14(12)19)13(18)16-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,18)(H,17,19)
InChIKeyIVGWTXCNDWMXNX-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.00
Rot. Bonds4

About 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide (PubChem CID 110852311) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
PubChem CID110852311
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-12-8-11(9-17-14(12)19)13(18)16-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,18)(H,17,19)
InChIKeyIVGWTXCNDWMXNX-UHFFFAOYSA-N
XLogP2.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 53362040
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
2,3,6-trichloro-N-(2-phenylethyl)benzamide
CID 19171105
5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
CID 118784140
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110851769
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide (CID 110852311) is 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IVGWTXCNDWMXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-8-11(9-17-14(12)19)13(18)16-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,18)(H,17,19).
What are the key properties of 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110852311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).