4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide

C21H18N4O — CID 109219956

IUPAC4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(Nc3ccccc3C#N)ccn2)c1
InChIInChI=1S/C21H18N4O/c1-14-9-15(2)11-18(10-14)25-21(26)20-12-17(7-8-23-20)24-19-6-4-3-5-16(19)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyNKHCGIMCRFZQCB-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds4

About 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide

4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109219956) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109219956
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(Nc3ccccc3C#N)ccn2)c1
InChIInChI=1S/C21H18N4O/c1-14-9-15(2)11-18(10-14)25-21(26)20-12-17(7-8-23-20)24-19-6-4-3-5-16(19)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyNKHCGIMCRFZQCB-UHFFFAOYSA-N
XLogP4.57
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109222479
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide (CID 109219956) is 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(Nc3ccccc3C#N)ccn2)c1.
What is the InChIKey of 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is NKHCGIMCRFZQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-9-15(2)11-18(10-14)25-21(26)20-12-17(7-8-23-20)24-19-6-4-3-5-16(19)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).