N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide

C17H18FN3O — CID 155093129

IUPACN-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2
InChIInChI=1S/C17H18FN3O/c1-11(17(22)20-13-6-4-12(18)5-7-13)14-8-9-15-16(21-14)3-2-10-19-15/h4-9,11,19H,2-3,10H2,1H3,(H,20,22)
InChIKeyHPIXVZQBDDGMBE-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.32
Rot. Bonds3

About N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide

N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide (PubChem CID 155093129) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide
PubChem CID155093129
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2
InChIInChI=1S/C17H18FN3O/c1-11(17(22)20-13-6-4-12(18)5-7-13)14-8-9-15-16(21-14)3-2-10-19-15/h4-9,11,19H,2-3,10H2,1H3,(H,20,22)
InChIKeyHPIXVZQBDDGMBE-UHFFFAOYSA-N
XLogP3.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide (CID 155093129) is N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide is CC(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2.
What is the InChIKey of N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide?
The InChIKey is HPIXVZQBDDGMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-11(17(22)20-13-6-4-12(18)5-7-13)14-8-9-15-16(21-14)3-2-10-19-15/h4-9,11,19H,2-3,10H2,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide?
N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide has a molecular weight of 299.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide is sourced from PubChem (CID 155093129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).