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

C13H8ClN3O2 — CID 47059651

IUPAC5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)c1
InChIInChI=1S/C13H8ClN3O2/c14-11-5-9(7-16-13(11)19)12(18)17-10-3-1-2-8(4-10)6-15/h1-5,7H,(H,16,19)(H,17,18)
InChIKeyREWOOBBGPVBZTN-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.15
Rot. Bonds2

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

5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47059651) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47059651
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)c1
InChIInChI=1S/C13H8ClN3O2/c14-11-5-9(7-16-13(11)19)12(18)17-10-3-1-2-8(4-10)6-15/h1-5,7H,(H,16,19)(H,17,18)
InChIKeyREWOOBBGPVBZTN-UHFFFAOYSA-N
XLogP2.15
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110861200
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 47059651) is 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)c1.
What is the InChIKey of 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is REWOOBBGPVBZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-11-5-9(7-16-13(11)19)12(18)17-10-3-1-2-8(4-10)6-15/h1-5,7H,(H,16,19)(H,17,18).
What are the key properties of 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 273.68 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47059651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).