N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide

C25H32N4O3 — CID 652311

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C25H32N4O3/c1-32-22-12-10-21(11-13-22)29(18-24(30)27-20-7-3-4-8-20)25(31)19-9-14-23(26-17-19)28-15-5-2-6-16-28/h9-14,17,20H,2-8,15-16,18H2,1H3,(H,27,30)
InChIKeyQQZGHBPMYRFSPB-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.79
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 652311) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
PubChem CID652311
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C25H32N4O3/c1-32-22-12-10-21(11-13-22)29(18-24(30)27-20-7-3-4-8-20)25(31)19-9-14-23(26-17-19)28-15-5-2-6-16-28/h9-14,17,20H,2-8,15-16,18H2,1H3,(H,27,30)
InChIKeyQQZGHBPMYRFSPB-UHFFFAOYSA-N
XLogP3.79
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-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-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide (CID 652311) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide is COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is QQZGHBPMYRFSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-32-22-12-10-21(11-13-22)29(18-24(30)27-20-7-3-4-8-20)25(31)19-9-14-23(26-17-19)28-15-5-2-6-16-28/h9-14,17,20H,2-8,15-16,18H2,1H3,(H,27,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 652311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).