1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide

C22H24FN3O3 — CID 7620684

IUPAC1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H24FN3O3/c1-15(2)29-12-4-11-25-21(27)19-13-17-5-3-10-24-20(17)26(22(19)28)14-16-6-8-18(23)9-7-16/h3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,25,27)
InChIKeyLNZJMUONNZAGHV-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.13
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 7620684) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide
PubChem CID7620684
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H24FN3O3/c1-15(2)29-12-4-11-25-21(27)19-13-17-5-3-10-24-20(17)26(22(19)28)14-16-6-8-18(23)9-7-16/h3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,25,27)
InChIKeyLNZJMUONNZAGHV-UHFFFAOYSA-N
XLogP3.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844208
N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620423
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
N-tert-butyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620678
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620801
1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996348
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620827
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide (CID 7620684) is 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide is CC(C)OCCCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is LNZJMUONNZAGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15(2)29-12-4-11-25-21(27)19-13-17-5-3-10-24-20(17)26(22(19)28)14-16-6-8-18(23)9-7-16/h3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).