(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone

C13H17ClN2O — CID 113379656

IUPAC(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O/c1-9(2)11-7-10(8-12(14)15-11)13(17)16-5-3-4-6-16/h7-9H,3-6H2,1-2H3
InChIKeyOQNZKUUWMLODPE-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.09
Rot. Bonds2

About (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone

(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 113379656) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID113379656
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O/c1-9(2)11-7-10(8-12(14)15-11)13(17)16-5-3-4-6-16/h7-9H,3-6H2,1-2H3
InChIKeyOQNZKUUWMLODPE-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone 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

(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(2,6-dichloro-4-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053042
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone
CID 50849504
2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 114202175
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 60716823
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone (CID 113379656) is (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone is CC(C)c1cc(C(=O)N2CCCC2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is OQNZKUUWMLODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(2)11-7-10(8-12(14)15-11)13(17)16-5-3-4-6-16/h7-9H,3-6H2,1-2H3.
What are the key properties of (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone?
(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 252.75 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 113379656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).