4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C16H12F2N4O3 — CID 77461242

IUPAC4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
InChIInChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,25H,7,19H2,(H,21,23)
InChIKeyBFBJCHADKLXZFV-UHFFFAOYSA-N
MW346.29 g/mol
LogP1.42
Rot. Bonds3

About 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 77461242) has the molecular formula C16H12F2N4O3 and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID77461242
Molecular FormulaC16H12F2N4O3
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC Name4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
InChIInChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,25H,7,19H2,(H,21,23)
InChIKeyBFBJCHADKLXZFV-UHFFFAOYSA-N
XLogP1.42
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 77461242) is 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12.
What is the InChIKey of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is BFBJCHADKLXZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,25H,7,19H2,(H,21,23).
What are the key properties of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 346.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 77461242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).