N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide

C28H32N4O2 — CID 3206130

IUPACN-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCC(C)c1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccnc2)cc1
InChIInChI=1S/C28H32N4O2/c1-20(2)21-13-15-22(16-14-21)26(27(33)31-23-9-4-3-5-10-23)32(24-11-8-17-29-19-24)28(34)25-12-6-7-18-30-25/h6-8,11-20,23,26H,3-5,9-10H2,1-2H3,(H,31,33)
InChIKeyGERZZVKYSGVCQL-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.44
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 3206130) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID3206130
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCC(C)c1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccnc2)cc1
InChIInChI=1S/C28H32N4O2/c1-20(2)21-13-15-22(16-14-21)26(27(33)31-23-9-4-3-5-10-23)32(24-11-8-17-29-19-24)28(34)25-12-6-7-18-30-25/h6-8,11-20,23,26H,3-5,9-10H2,1-2H3,(H,31,33)
InChIKeyGERZZVKYSGVCQL-UHFFFAOYSA-N
XLogP5.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-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-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide (CID 3206130) is N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide is CC(C)c1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccnc2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is GERZZVKYSGVCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-20(2)21-13-15-22(16-14-21)26(27(33)31-23-9-4-3-5-10-23)32(24-11-8-17-29-19-24)28(34)25-12-6-7-18-30-25/h6-8,11-20,23,26H,3-5,9-10H2,1-2H3,(H,31,33).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 3206130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).