4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

C20H13N5O — CID 109222713

IUPAC4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C20H13N5O/c21-12-14-4-6-16(7-5-14)24-18-8-9-23-19(11-18)20(26)25-17-3-1-2-15(10-17)13-22/h1-11H,(H,23,24)(H,25,26)
InChIKeyOCKYCANIWCRHHD-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.82
Rot. Bonds4

About 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109222713) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109222713
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C20H13N5O/c21-12-14-4-6-16(7-5-14)24-18-8-9-23-19(11-18)20(26)25-17-3-1-2-15(10-17)13-22/h1-11H,(H,23,24)(H,25,26)
InChIKeyOCKYCANIWCRHHD-UHFFFAOYSA-N
XLogP3.82
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
4-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109222661
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109222713) is 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is N#Cc1ccc(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1.
What is the InChIKey of 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is OCKYCANIWCRHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-12-14-4-6-16(7-5-14)24-18-8-9-23-19(11-18)20(26)25-17-3-1-2-15(10-17)13-22/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).