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

C13H18FN3O — CID 175565382

IUPACN-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCCNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C13H18FN3O/c1-2-16-13(18)11-4-3-10(12(14)17-11)9-5-7-15-8-6-9/h3-5,12,15,17H,2,6-8H2,1H3,(H,16,18)
InChIKeyBPPDYFFPPZFZCU-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.75
Rot. Bonds3

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

N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175565382) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175565382
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCCNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C13H18FN3O/c1-2-16-13(18)11-4-3-10(12(14)17-11)9-5-7-15-8-6-9/h3-5,12,15,17H,2,6-8H2,1H3,(H,16,18)
InChIKeyBPPDYFFPPZFZCU-UHFFFAOYSA-N
XLogP0.75
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.75
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-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175565382) is N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is CCNC(=O)C1=CC=C(C2=CCNCC2)C(F)N1.
What is the InChIKey of N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is BPPDYFFPPZFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-16-13(18)11-4-3-10(12(14)17-11)9-5-7-15-8-6-9/h3-5,12,15,17H,2,6-8H2,1H3,(H,16,18).
What are the key properties of N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175565382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).