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

C21H17N5O2 — CID 109178564

IUPAC2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ccn2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-18-6-3-7-19(12-18)25-20-11-16(8-9-23-20)21(28)26-17-5-2-4-15(10-17)13-22/h2-12H,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyGJHGZXMODKTVOZ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds5

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

2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (PubChem CID 109178564) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
PubChem CID109178564
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ccn2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-18-6-3-7-19(12-18)25-20-11-16(8-9-23-20)21(28)26-17-5-2-4-15(10-17)13-22/h2-12H,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyGJHGZXMODKTVOZ-UHFFFAOYSA-N
XLogP3.91
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
N-(2-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177164
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109176756

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (CID 109178564) is 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ccn2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is GJHGZXMODKTVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(27)24-18-6-3-7-19(12-18)25-20-11-16(8-9-23-20)21(28)26-17-5-2-4-15(10-17)13-22/h2-12H,1H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).