3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide

C19H13ClN4O — CID 113037181

IUPAC3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C19H13ClN4O/c20-15-5-2-4-14(10-15)19(25)24-18-8-7-17(12-22-18)23-16-6-1-3-13(9-16)11-21/h1-10,12,23H,(H,22,24,25)
InChIKeyQVUHKFXUCWFOPH-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.60
Rot. Bonds4

About 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide

3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide (PubChem CID 113037181) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
PubChem CID113037181
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C19H13ClN4O/c20-15-5-2-4-14(10-15)19(25)24-18-8-7-17(12-22-18)23-16-6-1-3-13(9-16)11-21/h1-10,12,23H,(H,22,24,25)
InChIKeyQVUHKFXUCWFOPH-UHFFFAOYSA-N
XLogP4.60
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037150
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide (CID 113037181) is 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide is N#Cc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1.
What is the InChIKey of 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide?
The InChIKey is QVUHKFXUCWFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-15-5-2-4-14(10-15)19(25)24-18-8-7-17(12-22-18)23-16-6-1-3-13(9-16)11-21/h1-10,12,23H,(H,22,24,25).
What are the key properties of 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide?
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide has a molecular weight of 348.79 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113037181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).