2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide

C13H17F2N3O — CID 175516766

IUPAC2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=CC=C(C2=CCNCC2)C(C(F)F)N1
InChIInChI=1S/C13H17F2N3O/c1-16-13(19)10-3-2-9(11(18-10)12(14)15)8-4-6-17-7-5-8/h2-4,11-12,17-18H,5-7H2,1H3,(H,16,19)
InChIKeyJQPJLHSUCHOPDI-UHFFFAOYSA-N
MW269.29 g/mol
LogP0.70
Rot. Bonds3

About 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide

2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175516766) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175516766
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=CC=C(C2=CCNCC2)C(C(F)F)N1
InChIInChI=1S/C13H17F2N3O/c1-16-13(19)10-3-2-9(11(18-10)12(14)15)8-4-6-17-7-5-8/h2-4,11-12,17-18H,5-7H2,1H3,(H,16,19)
InChIKeyJQPJLHSUCHOPDI-UHFFFAOYSA-N
XLogP0.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175516766) is 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is CNC(=O)C1=CC=C(C2=CCNCC2)C(C(F)F)N1.
What is the InChIKey of 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is JQPJLHSUCHOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-16-13(19)10-3-2-9(11(18-10)12(14)15)8-4-6-17-7-5-8/h2-4,11-12,17-18H,5-7H2,1H3,(H,16,19).
What are the key properties of 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175516766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).