6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide

C17H15F2N3O4 — CID 123626957

IUPAC6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCOc1c2c(c(C(N)=O)[nH]c1=O)CCN(Cc1ccc(F)cc1F)C2=O
InChIInChI=1S/C17H15F2N3O4/c1-26-14-12-10(13(15(20)23)21-16(14)24)4-5-22(17(12)25)7-8-2-3-9(18)6-11(8)19/h2-3,6H,4-5,7H2,1H3,(H2,20,23)(H,21,24)
InChIKeyGPJKJIDIDIRJTL-UHFFFAOYSA-N
MW363.32 g/mol
LogP0.96
Rot. Bonds4

About 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide

6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (PubChem CID 123626957) has the molecular formula C17H15F2N3O4 and a molecular weight of 363.32 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
PubChem CID123626957
Molecular FormulaC17H15F2N3O4
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC Name6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCOc1c2c(c(C(N)=O)[nH]c1=O)CCN(Cc1ccc(F)cc1F)C2=O
InChIInChI=1S/C17H15F2N3O4/c1-26-14-12-10(13(15(20)23)21-16(14)24)4-5-22(17(12)25)7-8-2-3-9(18)6-11(8)19/h2-3,6H,4-5,7H2,1H3,(H2,20,23)(H,21,24)
InChIKeyGPJKJIDIDIRJTL-UHFFFAOYSA-N
XLogP0.96
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
CID 69063052
6-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
CID 54692263
1-[(2,4-difluorophenyl)methyl]-3-ethyl-1,4-diazepane-2,5-dione
CID 64882658
6-fluoro-2-[(2-fluorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
CID 68598740
6-[(3-chloro-4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylic acid
CID 69063385
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391
3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide
CID 103525854
7-[(2,4-difluorophenyl)methyl]-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863644
N-[2-[(2,4-difluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 25063619
2-[(2,5-difluorophenyl)methyl]-6,7-dimethoxy-3H-isoindol-1-one
CID 68964004
6-[(2,4-difluorophenyl)methyl]-2-(2,3-dimethoxyphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 134810619
1-[(2,4-difluorophenyl)methyl]-5-[methyl-(1-methylpiperidin-4-yl)amino]azepan-2-one
CID 56853426

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (CID 123626957) is 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is COc1c2c(c(C(N)=O)[nH]c1=O)CCN(Cc1ccc(F)cc1F)C2=O.
What is the InChIKey of 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The InChIKey is GPJKJIDIDIRJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4/c1-26-14-12-10(13(15(20)23)21-16(14)24)4-5-22(17(12)25)7-8-2-3-9(18)6-11(8)19/h2-3,6H,4-5,7H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide has a molecular weight of 363.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 123626957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).