6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide

C19H20FN3O4 — CID 54692266

IUPAC6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCC(C)NC(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FN3O4/c1-10(2)21-17(25)15-13-7-8-23(9-11-3-5-12(20)6-4-11)19(27)14(13)16(24)18(26)22-15/h3-6,10,24H,7-9H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOKSOHSHPAFHKMA-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.56
Rot. Bonds4

About 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide

6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (PubChem CID 54692266) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
PubChem CID54692266
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCC(C)NC(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FN3O4/c1-10(2)21-17(25)15-13-7-8-23(9-11-3-5-12(20)6-4-11)19(27)14(13)16(24)18(26)22-15/h3-6,10,24H,7-9H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOKSOHSHPAFHKMA-UHFFFAOYSA-N
XLogP1.56
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Chloro-4-Fluorobenzyl)-4-Hydroxy-N,N-Dimethyl-2-(1-Methylethyl)-3,5-Dioxo-2,3,5,6,7,8-Hexahydro-2,6-Naphthyridine-1-Carboxamide
CID 54680316
9-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682238
N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyl-oxamide
CID 54709859
Bicyclic pyrimidinone, (S)-28b
CID 54682251
Bicyclic pyrimidinone, (R)-28b
CID 54709860
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[2-(4-methylpiperazin-1-yl)-2-oxoacetamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54737245
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[2-(methylamino)-2-oxo-ethyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684194
8-(2-amino-2-oxo-ethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684201
8-[2-(dimethylamino)-2-oxo-ethyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686322
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4,7-dioxo-6,8-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698276
8-[2-(dimethylamino)-2-oxo-acetyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698278
N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 54718731

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (CID 54692266) is 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is CC(C)NC(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The InChIKey is OKSOHSHPAFHKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-10(2)21-17(25)15-13-7-8-23(9-11-3-5-12(20)6-4-11)19(27)14(13)16(24)18(26)22-15/h3-6,10,24H,7-9H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54692266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).