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

C11H14FN3O — CID 175516729

IUPAC2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C11H14FN3O/c12-10-8(7-3-5-14-6-4-7)1-2-9(15-10)11(13)16/h1-3,10,14-15H,4-6H2,(H2,13,16)
InChIKeyZENSTRSBYYKDDQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.10
Rot. Bonds2

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

2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175516729) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175516729
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C11H14FN3O/c12-10-8(7-3-5-14-6-4-7)1-2-9(15-10)11(13)16/h1-3,10,14-15H,4-6H2,(H2,13,16)
InChIKeyZENSTRSBYYKDDQ-UHFFFAOYSA-N
XLogP0.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.10
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-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175516729) is 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is NC(=O)C1=CC=C(C2=CCNCC2)C(F)N1.
What is the InChIKey of 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is ZENSTRSBYYKDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-10-8(7-3-5-14-6-4-7)1-2-9(15-10)11(13)16/h1-3,10,14-15H,4-6H2,(H2,13,16).
What are the key properties of 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175516729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).