N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide

C23H22N4O — CID 109177184

IUPACN-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C23H22N4O/c1-23(2,3)18-7-9-19(10-8-18)27-22(28)17-11-12-25-21(14-17)26-20-6-4-5-16(13-20)15-24/h4-14H,1-3H3,(H,25,26)(H,27,28)
InChIKeyAFOVHOASWUMHBT-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.25
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide

N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109177184) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
PubChem CID109177184
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C23H22N4O/c1-23(2,3)18-7-9-19(10-8-18)27-22(28)17-11-12-25-21(14-17)26-20-6-4-5-16(13-20)15-24/h4-14H,1-3H3,(H,25,26)(H,27,28)
InChIKeyAFOVHOASWUMHBT-UHFFFAOYSA-N
XLogP5.25
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
N-(2-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177164
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide (CID 109177184) is N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccnc(Nc3cccc(C#N)c3)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is AFOVHOASWUMHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-23(2,3)18-7-9-19(10-8-18)27-22(28)17-11-12-25-21(14-17)26-20-6-4-5-16(13-20)15-24/h4-14H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).