[3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C18H20ClFN4O — CID 91799673

IUPAC[3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCCC(F)(c3ncc(Cl)cc3C)C2)ccn1
InChIInChI=1S/C18H20ClFN4O/c1-12-8-14(19)10-23-16(12)18(20)5-3-7-24(11-18)17(25)13-4-6-22-15(9-13)21-2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,21,22)
InChIKeyKJJXBCYIKIOANE-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.58
Rot. Bonds3

About [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 91799673) has the molecular formula C18H20ClFN4O and a molecular weight of 362.84 g/mol. Its IUPAC name is [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID91799673
Molecular FormulaC18H20ClFN4O
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name[3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCCC(F)(c3ncc(Cl)cc3C)C2)ccn1
InChIInChI=1S/C18H20ClFN4O/c1-12-8-14(19)10-23-16(12)18(20)5-3-7-24(11-18)17(25)13-4-6-22-15(9-13)21-2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,21,22)
InChIKeyKJJXBCYIKIOANE-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]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 [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 91799673) is [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCCC(F)(c3ncc(Cl)cc3C)C2)ccn1.
What is the InChIKey of [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is KJJXBCYIKIOANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O/c1-12-8-14(19)10-23-16(12)18(20)5-3-7-24(11-18)17(25)13-4-6-22-15(9-13)21-2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,21,22).
What are the key properties of [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 362.84 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 91799673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).