N-(4-chloro-2-pyridinyl)-3-cyanobenzamide

C13H8ClN3O — CID 108797461

IUPACN-(4-chloro-2-pyridinyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C13H8ClN3O/c14-11-4-5-16-12(7-11)17-13(18)10-3-1-2-9(6-10)8-15/h1-7H,(H,16,17,18)
InChIKeyVKJDOYDPWUMYSV-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.86
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-3-cyanobenzamide

N-(4-chloro-2-pyridinyl)-3-cyanobenzamide (PubChem CID 108797461) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-cyanobenzamide
PubChem CID108797461
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC NameN-(4-chloro-2-pyridinyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C13H8ClN3O/c14-11-4-5-16-12(7-11)17-13(18)10-3-1-2-9(6-10)8-15/h1-7H,(H,16,17,18)
InChIKeyVKJDOYDPWUMYSV-UHFFFAOYSA-N
XLogP2.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
CID 61319190
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-cyanobenzamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-cyanobenzamide (CID 108797461) is N-(4-chloro-2-pyridinyl)-3-cyanobenzamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-cyanobenzamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2cc(Cl)ccn2)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-cyanobenzamide?
The InChIKey is VKJDOYDPWUMYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-11-4-5-16-12(7-11)17-13(18)10-3-1-2-9(6-10)8-15/h1-7H,(H,16,17,18).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-cyanobenzamide?
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide has a molecular weight of 257.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3-cyanobenzamide is sourced from PubChem (CID 108797461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).