6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide

C23H22N4O — CID 109163157

IUPAC6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)cn2)cc1
InChIInChI=1S/C23H22N4O/c1-23(2,3)18-8-10-19(11-9-18)26-21-12-7-17(15-25-21)22(28)27-20-6-4-5-16(13-20)14-24/h4-13,15H,1-3H3,(H,25,26)(H,27,28)
InChIKeyVWEDEZVXELQHGB-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.25
Rot. Bonds4

About 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide

6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide (PubChem CID 109163157) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
PubChem CID109163157
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)cn2)cc1
InChIInChI=1S/C23H22N4O/c1-23(2,3)18-8-10-19(11-9-18)26-21-12-7-17(15-25-21)22(28)27-20-6-4-5-16(13-20)14-24/h4-13,15H,1-3H3,(H,25,26)(H,27,28)
InChIKeyVWEDEZVXELQHGB-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

N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide (CID 109163157) is 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide is CC(C)(C)c1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)cn2)cc1.
What is the InChIKey of 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is VWEDEZVXELQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-23(2,3)18-8-10-19(11-9-18)26-21-12-7-17(15-25-21)22(28)27-20-6-4-5-16(13-20)14-24/h4-13,15H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-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 6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).