[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone

C19H17ClF3N3O2 — CID 86953552

IUPAC[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCNc1cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc(Cl)n1
InChIInChI=1S/C19H17ClF3N3O2/c1-24-16-7-11(6-15(20)25-16)19(28)26-4-2-10(3-5-26)18(27)17-13(22)8-12(21)9-14(17)23/h6-10H,2-5H2,1H3,(H,24,25)
InChIKeyUVKJKANOCBTIHX-UHFFFAOYSA-N
MW411.81 g/mol
LogP3.93
Rot. Bonds4

About [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone

[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 86953552) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID86953552
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCNc1cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc(Cl)n1
InChIInChI=1S/C19H17ClF3N3O2/c1-24-16-7-11(6-15(20)25-16)19(28)26-4-2-10(3-5-26)18(27)17-13(22)8-12(21)9-14(17)23/h6-10H,2-5H2,1H3,(H,24,25)
InChIKeyUVKJKANOCBTIHX-UHFFFAOYSA-N
XLogP3.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)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 [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone (CID 86953552) is [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone is CNc1cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc(Cl)n1.
What is the InChIKey of [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is UVKJKANOCBTIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-24-16-7-11(6-15(20)25-16)19(28)26-4-2-10(3-5-26)18(27)17-13(22)8-12(21)9-14(17)23/h6-10H,2-5H2,1H3,(H,24,25).
What are the key properties of [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 411.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 86953552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).