2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide

C23H26FN3O2 — CID 142580477

IUPAC2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1
InChIInChI=1S/C23H26FN3O2/c1-14(2)21(22(28)25-17-9-7-16(24)8-10-17)19-11-12-20-18(26-19)4-3-13-27(20)23(29)15-5-6-15/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,25,28)
InChIKeyQAOKCQCHMYASLA-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.29
Rot. Bonds5

About 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide

2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide (PubChem CID 142580477) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide
PubChem CID142580477
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1
InChIInChI=1S/C23H26FN3O2/c1-14(2)21(22(28)25-17-9-7-16(24)8-10-17)19-11-12-20-18(26-19)4-3-13-27(20)23(29)15-5-6-15/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,25,28)
InChIKeyQAOKCQCHMYASLA-UHFFFAOYSA-N
XLogP4.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide (CID 142580477) is 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide is CC(C)C(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1.
What is the InChIKey of 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide?
The InChIKey is QAOKCQCHMYASLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-14(2)21(22(28)25-17-9-7-16(24)8-10-17)19-11-12-20-18(26-19)4-3-13-27(20)23(29)15-5-6-15/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,25,28).
What are the key properties of 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide?
2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide has a molecular weight of 395.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 142580477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).