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

C23H23FN4O4 — CID 58882916

IUPACN-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NC2CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H23FN4O4/c1-27(2)18(29)12-28-17-10-14(9-13-3-5-15(24)6-4-13)11-25-20(17)21(30)19(23(28)32)22(31)26-16-7-8-16/h3-6,10-11,16,30H,7-9,12H2,1-2H3,(H,26,31)
InChIKeyHFZMUFCMKBURCR-UHFFFAOYSA-N
MW438.46 g/mol
LogP1.81
Rot. Bonds6

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

N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 58882916) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID58882916
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC NameN-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NC2CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H23FN4O4/c1-27(2)18(29)12-28-17-10-14(9-13-3-5-15(24)6-4-13)11-25-20(17)21(30)19(23(28)32)22(31)26-16-7-8-16/h3-6,10-11,16,30H,7-9,12H2,1-2H3,(H,26,31)
InChIKeyHFZMUFCMKBURCR-UHFFFAOYSA-N
XLogP1.81
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-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-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (CID 58882916) is N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)Cn1c(=O)c(C(=O)NC2CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is HFZMUFCMKBURCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-27(2)18(29)12-28-17-10-14(9-13-3-5-15(24)6-4-13)11-25-20(17)21(30)19(23(28)32)22(31)26-16-7-8-16/h3-6,10-11,16,30H,7-9,12H2,1-2H3,(H,26,31).
What are the key properties of N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).