N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C19H18FN3O3 — CID 54729991

IUPACN-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C19H18FN3O3/c1-3-21-18(25)15-17(24)16-14(23(2)19(15)26)9-12(10-22-16)8-11-4-6-13(20)7-5-11/h4-7,9-10,24H,3,8H2,1-2H3,(H,21,25)
InChIKeyUYQJZKVDHPVDOB-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.12
Rot. Bonds4

About N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54729991) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54729991
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C19H18FN3O3/c1-3-21-18(25)15-17(24)16-14(23(2)19(15)26)9-12(10-22-16)8-11-4-6-13(20)7-5-11/h4-7,9-10,24H,3,8H2,1-2H3,(H,21,25)
InChIKeyUYQJZKVDHPVDOB-UHFFFAOYSA-N
XLogP2.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-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 N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54729991) is N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O.
What is the InChIKey of N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is UYQJZKVDHPVDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-3-21-18(25)15-17(24)16-14(23(2)19(15)26)9-12(10-22-16)8-11-4-6-13(20)7-5-11/h4-7,9-10,24H,3,8H2,1-2H3,(H,21,25).
What are the key properties of N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54729991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).