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

C24H29ClN4O3 — CID 44526687

IUPAC5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(N2CCC(Oc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C24H29ClN4O3/c25-21-16-18(24(31)26-11-5-13-28-12-4-8-22(28)30)17-27-23(21)29-14-9-20(10-15-29)32-19-6-2-1-3-7-19/h1-3,6-7,16-17,20H,4-5,8-15H2,(H,26,31)
InChIKeyYXBBCFFBUVFVKC-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.53
Rot. Bonds8

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

5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 44526687) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide
PubChem CID44526687
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(N2CCC(Oc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C24H29ClN4O3/c25-21-16-18(24(31)26-11-5-13-28-12-4-8-22(28)30)17-27-23(21)29-14-9-20(10-15-29)32-19-6-2-1-3-7-19/h1-3,6-7,16-17,20H,4-5,8-15H2,(H,26,31)
InChIKeyYXBBCFFBUVFVKC-UHFFFAOYSA-N
XLogP3.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide (CID 44526687) is 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(N2CCC(Oc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YXBBCFFBUVFVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c25-21-16-18(24(31)26-11-5-13-28-12-4-8-22(28)30)17-27-23(21)29-14-9-20(10-15-29)32-19-6-2-1-3-7-19/h1-3,6-7,16-17,20H,4-5,8-15H2,(H,26,31).
What are the key properties of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide?
5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 456.97 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-phenoxypiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44526687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).