N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide

C22H20N4O — CID 109220395

IUPACN-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1Nc1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H20N4O/c1-3-17-8-4-6-15(2)21(17)25-19-10-11-24-20(13-19)22(27)26-18-9-5-7-16(12-18)14-23/h4-13H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyYOOBMEZNOKGNTR-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.82
Rot. Bonds5

About N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide

N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide (PubChem CID 109220395) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
PubChem CID109220395
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1Nc1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H20N4O/c1-3-17-8-4-6-15(2)21(17)25-19-10-11-24-20(13-19)22(27)26-18-9-5-7-16(12-18)14-23/h4-13H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyYOOBMEZNOKGNTR-UHFFFAOYSA-N
XLogP4.82
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220385
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354
N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
CID 109267799
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267752
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315
N-(2-ethyl-6-methylphenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109220361
3-[[6-(2-ethyl-6-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865499
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222674
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide (CID 109220395) is N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide is CCc1cccc(C)c1Nc1ccnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
The InChIKey is YOOBMEZNOKGNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-3-17-8-4-6-15(2)21(17)25-19-10-11-24-20(13-19)22(27)26-18-9-5-7-16(12-18)14-23/h4-13H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109220395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).