4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C25H28F2N4O3 — CID 86291746

IUPAC4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCC3CCCCC3)cc12
InChIInChI=1S/C25H28F2N4O3/c26-18-10-9-17(20(27)12-18)14-30-24(32)21-22(28)19-11-16(13-29-23(19)31(34)25(21)33)8-4-7-15-5-2-1-3-6-15/h9-13,15,34H,1-8,14,28H2,(H,30,32)
InChIKeyOQDSQTTWIJZOEH-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.33
Rot. Bonds7

About 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 86291746) has the molecular formula C25H28F2N4O3 and a molecular weight of 470.52 g/mol. Its IUPAC name is 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID86291746
Molecular FormulaC25H28F2N4O3
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC Name4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCC3CCCCC3)cc12
InChIInChI=1S/C25H28F2N4O3/c26-18-10-9-17(20(27)12-18)14-30-24(32)21-22(28)19-11-16(13-29-23(19)31(34)25(21)33)8-4-7-15-5-2-1-3-6-15/h9-13,15,34H,1-8,14,28H2,(H,30,32)
InChIKeyOQDSQTTWIJZOEH-UHFFFAOYSA-N
XLogP4.33
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-6-(3-cyclohexylpropyl)-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-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 86291746) is 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-(3-cyclohexylpropyl)-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)c2ncc(CCCC3CCCCC3)cc12.
What is the InChIKey of 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OQDSQTTWIJZOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O3/c26-18-10-9-17(20(27)12-18)14-30-24(32)21-22(28)19-11-16(13-29-23(19)31(34)25(21)33)8-4-7-15-5-2-1-3-6-15/h9-13,15,34H,1-8,14,28H2,(H,30,32).
What are the key properties of 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 470.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 86291746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).