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

C20H13N5O — CID 109222698

IUPAC4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)Nc3ccccc3C#N)c2)c1
InChIInChI=1S/C20H13N5O/c21-12-14-4-3-6-16(10-14)24-17-8-9-23-19(11-17)20(26)25-18-7-2-1-5-15(18)13-22/h1-11H,(H,23,24)(H,25,26)
InChIKeyNNABVZDHXOATJO-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.82
Rot. Bonds4

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

4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109222698) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
PubChem CID109222698
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)Nc3ccccc3C#N)c2)c1
InChIInChI=1S/C20H13N5O/c21-12-14-4-3-6-16(10-14)24-17-8-9-23-19(11-17)20(26)25-18-7-2-1-5-15(18)13-22/h1-11H,(H,23,24)(H,25,26)
InChIKeyNNABVZDHXOATJO-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-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222081
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109222479
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide (CID 109222698) is 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide is N#Cc1cccc(Nc2ccnc(C(=O)Nc3ccccc3C#N)c2)c1.
What is the InChIKey of 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is NNABVZDHXOATJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-12-14-4-3-6-16(10-14)24-17-8-9-23-19(11-17)20(26)25-18-7-2-1-5-15(18)13-22/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide?
4-(3-cyanoanilino)-N-(2-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-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).