5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

C25H31ClN4O3 — CID 44526690

IUPAC5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cccc(OC2CCN(c3ncc(C(=O)NCCCN4CCCC4=O)cc3Cl)CC2)c1
InChIInChI=1S/C25H31ClN4O3/c1-18-5-2-6-21(15-18)33-20-8-13-30(14-9-20)24-22(26)16-19(17-28-24)25(32)27-10-4-12-29-11-3-7-23(29)31/h2,5-6,15-17,20H,3-4,7-14H2,1H3,(H,27,32)
InChIKeyLAHMLNPRHCDMEW-UHFFFAOYSA-N
MW471.00 g/mol
LogP3.83
Rot. Bonds8

About 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 44526690) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID44526690
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cccc(OC2CCN(c3ncc(C(=O)NCCCN4CCCC4=O)cc3Cl)CC2)c1
InChIInChI=1S/C25H31ClN4O3/c1-18-5-2-6-21(15-18)33-20-8-13-30(14-9-20)24-22(26)16-19(17-28-24)25(32)27-10-4-12-29-11-3-7-23(29)31/h2,5-6,15-17,20H,3-4,7-14H2,1H3,(H,27,32)
InChIKeyLAHMLNPRHCDMEW-UHFFFAOYSA-N
XLogP3.83
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-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 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (CID 44526690) is 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is Cc1cccc(OC2CCN(c3ncc(C(=O)NCCCN4CCCC4=O)cc3Cl)CC2)c1.
What is the InChIKey of 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is LAHMLNPRHCDMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-18-5-2-6-21(15-18)33-20-8-13-30(14-9-20)24-22(26)16-19(17-28-24)25(32)27-10-4-12-29-11-3-7-23(29)31/h2,5-6,15-17,20H,3-4,7-14H2,1H3,(H,27,32).
What are the key properties of 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 471.00 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(3-methylphenoxy)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 44526690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).