[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone

C15H22ClN3O — CID 114923995

IUPAC[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CC(C)C(C)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O/c1-4-5-17-14-6-12(13(16)7-18-14)15(20)19-8-10(2)11(3)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyJDOZYWDLXDMDFW-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.28
Rot. Bonds4

About [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone

[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 114923995) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID114923995
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CC(C)C(C)C2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O/c1-4-5-17-14-6-12(13(16)7-18-14)15(20)19-8-10(2)11(3)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyJDOZYWDLXDMDFW-UHFFFAOYSA-N
XLogP3.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone 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-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 114923995) is [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone is CCCNc1cc(C(=O)N2CC(C)C(C)C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is JDOZYWDLXDMDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-4-5-17-14-6-12(13(16)7-18-14)15(20)19-8-10(2)11(3)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 295.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114923995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).