N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide

C13H16F3N3O — CID 175565421

IUPACN-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC(F)F)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C13H16F3N3O/c14-11(15)7-18-13(20)10-2-1-9(12(16)19-10)8-3-5-17-6-4-8/h1-3,11-12,17,19H,4-7H2,(H,18,20)
InChIKeyGTSLFSQWUAMRCS-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.00
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide

N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175565421) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175565421
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC(F)F)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C13H16F3N3O/c14-11(15)7-18-13(20)10-2-1-9(12(16)19-10)8-3-5-17-6-4-8/h1-3,11-12,17,19H,4-7H2,(H,18,20)
InChIKeyGTSLFSQWUAMRCS-UHFFFAOYSA-N
XLogP1.00
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide 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 N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175565421) is N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is O=C(NCC(F)F)C1=CC=C(C2=CCNCC2)C(F)N1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is GTSLFSQWUAMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-11(15)7-18-13(20)10-2-1-9(12(16)19-10)8-3-5-17-6-4-8/h1-3,11-12,17,19H,4-7H2,(H,18,20).
What are the key properties of N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175565421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).