5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide

C16H22ClN3O3 — CID 87021021

IUPAC5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCCN2CCCC2=O)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-11(2)23-16-13(17)9-12(10-19-16)15(22)18-6-4-8-20-7-3-5-14(20)21/h9-11H,3-8H2,1-2H3,(H,18,22)
InChIKeyXIKCDSYWAMVZLP-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.26
Rot. Bonds7

About 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 87021021) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID87021021
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCCN2CCCC2=O)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-11(2)23-16-13(17)9-12(10-19-16)15(22)18-6-4-8-20-7-3-5-14(20)21/h9-11H,3-8H2,1-2H3,(H,18,22)
InChIKeyXIKCDSYWAMVZLP-UHFFFAOYSA-N
XLogP2.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-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

Related Compounds

5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55856670
5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 78904618
N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 86883963
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-chloro-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-5-carboxamide
CID 6464749
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 51120675
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 87021021) is 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)NCCCN2CCCC2=O)cc1Cl.
What is the InChIKey of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is XIKCDSYWAMVZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-11(2)23-16-13(17)9-12(10-19-16)15(22)18-6-4-8-20-7-3-5-14(20)21/h9-11H,3-8H2,1-2H3,(H,18,22).
What are the key properties of 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 87021021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).