N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide

C25H32N4O4 — CID 648704

IUPACN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C25H32N4O4/c1-2-33-21-13-6-5-12-20(21)29(18-24(31)27-19-10-3-4-11-19)25(32)16-9-15-23(30)28-22-14-7-8-17-26-22/h5-8,12-14,17,19H,2-4,9-11,15-16,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyBIAZYVBMXHBICO-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.68
Rot. Bonds11

About N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 648704) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID648704
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C25H32N4O4/c1-2-33-21-13-6-5-12-20(21)29(18-24(31)27-19-10-3-4-11-19)25(32)16-9-15-23(30)28-22-14-7-8-17-26-22/h5-8,12-14,17,19H,2-4,9-11,15-16,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyBIAZYVBMXHBICO-UHFFFAOYSA-N
XLogP3.68
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide 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-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide (CID 648704) is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide is CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is BIAZYVBMXHBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-2-33-21-13-6-5-12-20(21)29(18-24(31)27-19-10-3-4-11-19)25(32)16-9-15-23(30)28-22-14-7-8-17-26-22/h5-8,12-14,17,19H,2-4,9-11,15-16,18H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 452.56 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 648704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).