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

C15H18F3N3O — CID 175565381

IUPACN-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C15H18F3N3O/c16-13-11(9-3-5-19-6-4-9)1-2-12(21-13)14(22)20-10-7-15(17,18)8-10/h1-3,10,13,19,21H,4-8H2,(H,20,22)
InChIKeyGXIVWIYXKWYGIF-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.53
Rot. Bonds3

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

N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175565381) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175565381
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C15H18F3N3O/c16-13-11(9-3-5-19-6-4-9)1-2-12(21-13)14(22)20-10-7-15(17,18)8-10/h1-3,10,13,19,21H,4-8H2,(H,20,22)
InChIKeyGXIVWIYXKWYGIF-UHFFFAOYSA-N
XLogP1.53
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175565381) is N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is O=C(NC1CC(F)(F)C1)C1=CC=C(C2=CCNCC2)C(F)N1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is GXIVWIYXKWYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-13-11(9-3-5-19-6-4-9)1-2-12(21-13)14(22)20-10-7-15(17,18)8-10/h1-3,10,13,19,21H,4-8H2,(H,20,22).
What are the key properties of N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175565381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).