2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide

C24H22N4O2 — CID 109092586

IUPAC2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccccc3C#N)ccn2)cc1
InChIInChI=1S/C24H22N4O2/c1-24(2,3)18-8-10-19(11-9-18)27-23(30)21-14-16(12-13-26-21)22(29)28-20-7-5-4-6-17(20)15-25/h4-14H,1-3H3,(H,27,30)(H,28,29)
InChIKeyFPKIHCACJJEKNW-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.76
Rot. Bonds4

About 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide

2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092586) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
PubChem CID109092586
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccccc3C#N)ccn2)cc1
InChIInChI=1S/C24H22N4O2/c1-24(2,3)18-8-10-19(11-9-18)27-23(30)21-14-16(12-13-26-21)22(29)28-20-7-5-4-6-17(20)15-25/h4-14H,1-3H3,(H,27,30)(H,28,29)
InChIKeyFPKIHCACJJEKNW-UHFFFAOYSA-N
XLogP4.76
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
2-N-butyl-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079552
4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079363
4-N-(2-cyanophenyl)-2-N-(2-ethyl-6-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092426
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082631
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide (CID 109092586) is 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide is CC(C)(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccccc3C#N)ccn2)cc1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is FPKIHCACJJEKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-24(2,3)18-8-10-19(11-9-18)27-23(30)21-14-16(12-13-26-21)22(29)28-20-7-5-4-6-17(20)15-25/h4-14H,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).