N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide

C25H30N4O — CID 130298799

IUPACN-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)n1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C25H30N4O/c1-16(2)29-23(12-13-26-29)22-15-20(24(30)28-25(3,4)5)14-21(27-22)19-10-8-18(9-11-19)17-6-7-17/h8-17H,6-7H2,1-5H3,(H,28,30)
InChIKeyAOROJNGGOVHYAO-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.60
Rot. Bonds5

About N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide

N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 130298799) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID130298799
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)n1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C25H30N4O/c1-16(2)29-23(12-13-26-29)22-15-20(24(30)28-25(3,4)5)14-21(27-22)19-10-8-18(9-11-19)17-6-7-17/h8-17H,6-7H2,1-5H3,(H,28,30)
InChIKeyAOROJNGGOVHYAO-UHFFFAOYSA-N
XLogP5.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide (CID 130298799) is N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide is CC(C)n1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C3CC3)cc2)n1.
What is the InChIKey of N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is AOROJNGGOVHYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-16(2)29-23(12-13-26-29)22-15-20(24(30)28-25(3,4)5)14-21(27-22)19-10-8-18(9-11-19)17-6-7-17/h8-17H,6-7H2,1-5H3,(H,28,30).
What are the key properties of N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130298799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).