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

C12H16FN3O — CID 175516740

IUPAC2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C12H16FN3O/c1-14-12(17)10-3-2-9(11(13)16-10)8-4-6-15-7-5-8/h2-4,11,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyOAYJKUIZBYNDMZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.36
Rot. Bonds2

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

2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175516740) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175516740
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C12H16FN3O/c1-14-12(17)10-3-2-9(11(13)16-10)8-4-6-15-7-5-8/h2-4,11,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyOAYJKUIZBYNDMZ-UHFFFAOYSA-N
XLogP0.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.36
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 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175516740) is 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is CNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1.
What is the InChIKey of 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is OAYJKUIZBYNDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-14-12(17)10-3-2-9(11(13)16-10)8-4-6-15-7-5-8/h2-4,11,15-16H,5-7H2,1H3,(H,14,17).
What are the key properties of 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175516740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).