(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C18H20ClN3O2 — CID 56819037

IUPAC(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)Oc1ncc(C(=O)N2CCCC2c2ccccn2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-12(2)24-17-14(19)10-13(11-21-17)18(23)22-9-5-7-16(22)15-6-3-4-8-20-15/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3
InChIKeyFMACLQXQJHJUHW-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.89
Rot. Bonds4

About (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 56819037) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID56819037
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)Oc1ncc(C(=O)N2CCCC2c2ccccn2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-12(2)24-17-14(19)10-13(11-21-17)18(23)22-9-5-7-16(22)15-6-3-4-8-20-15/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3
InChIKeyFMACLQXQJHJUHW-UHFFFAOYSA-N
XLogP3.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-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-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 56819037) is (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is CC(C)Oc1ncc(C(=O)N2CCCC2c2ccccn2)cc1Cl.
What is the InChIKey of (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is FMACLQXQJHJUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(2)24-17-14(19)10-13(11-21-17)18(23)22-9-5-7-16(22)15-6-3-4-8-20-15/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3.
What are the key properties of (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 56819037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).