N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide

C21H18N4O — CID 109220123

IUPACN-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccnc(C(=O)Nc3ccc(C#N)cc3)c2)c1C
InChIInChI=1S/C21H18N4O/c1-14-4-3-5-19(15(14)2)24-18-10-11-23-20(12-18)21(26)25-17-8-6-16(13-22)7-9-17/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBDMKIYZXIIKTFF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds4

About N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide

N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109220123) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
PubChem CID109220123
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccnc(C(=O)Nc3ccc(C#N)cc3)c2)c1C
InChIInChI=1S/C21H18N4O/c1-14-4-3-5-19(15(14)2)24-18-10-11-23-20(12-18)21(26)25-17-8-6-16(13-22)7-9-17/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBDMKIYZXIIKTFF-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

N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
N-(4-cyanophenyl)-4-(2,5-dichloroanilino)pyridine-2-carboxamide
CID 109222641
4-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109222661
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide (CID 109220123) is N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide is Cc1cccc(Nc2ccnc(C(=O)Nc3ccc(C#N)cc3)c2)c1C.
What is the InChIKey of N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is BDMKIYZXIIKTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-4-3-5-19(15(14)2)24-18-10-11-23-20(12-18)21(26)25-17-8-6-16(13-22)7-9-17/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide?
N-(4-cyanophenyl)-4-(2,3-dimethylanilino)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 N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109220123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).