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

C19H16F3N3O3 — CID 58882896

IUPACN-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC(F)F)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C19H16F3N3O3/c1-25-13-7-11(6-10-2-4-12(20)5-3-10)8-23-16(13)17(26)15(19(25)28)18(27)24-9-14(21)22/h2-5,7-8,14,26H,6,9H2,1H3,(H,24,27)
InChIKeyQFLCQXLLYBPIOP-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.36
Rot. Bonds5

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

N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 58882896) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID58882896
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC(F)F)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C19H16F3N3O3/c1-25-13-7-11(6-10-2-4-12(20)5-3-10)8-23-16(13)17(26)15(19(25)28)18(27)24-9-14(21)22/h2-5,7-8,14,26H,6,9H2,1H3,(H,24,27)
InChIKeyQFLCQXLLYBPIOP-UHFFFAOYSA-N
XLogP2.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk-364735
CID 54718859
6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid pyridin-3-ylamide
CID 54678166
7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69480972
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-1-methyl-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69481025
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482466
6-butyl-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
CID 139576721
4-hydroxy-1-methyl-2-oxo-N-(pyridin-4-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684726
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
9-fluoro-1-hydroxy-5-methyl-3-oxo-N-(pyridin-3-ylmethyl)-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide
CID 54679465
N-(4-fluorobenzyl)4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690727
N-Cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690871

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 58882896) is N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCC(F)F)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is QFLCQXLLYBPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-25-13-7-11(6-10-2-4-12(20)5-3-10)8-23-16(13)17(26)15(19(25)28)18(27)24-9-14(21)22/h2-5,7-8,14,26H,6,9H2,1H3,(H,24,27).
What are the key properties of N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).