N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide

C17H13F2N3O4S — CID 22346274

IUPACN-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)NCc2cc(F)cc(F)c2)c(O)c2ncccc12
InChIInChI=1S/C17H13F2N3O4S/c1-27(25,26)17-12-3-2-4-20-13(12)15(23)14(22-17)16(24)21-8-9-5-10(18)7-11(19)6-9/h2-7,23H,8H2,1H3,(H,21,24)
InChIKeyRRJDHUBXPVPDOI-UHFFFAOYSA-N
MW393.37 g/mol
LogP1.95
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide

N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide (PubChem CID 22346274) has the molecular formula C17H13F2N3O4S and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide
PubChem CID22346274
Molecular FormulaC17H13F2N3O4S
Molecular Weight393.37 g/mol
Exact Mass393.06
IUPAC NameN-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)NCc2cc(F)cc(F)c2)c(O)c2ncccc12
InChIInChI=1S/C17H13F2N3O4S/c1-27(25,26)17-12-3-2-4-20-13(12)15(23)14(22-17)16(24)21-8-9-5-10(18)7-11(19)6-9/h2-7,23H,8H2,1H3,(H,21,24)
InChIKeyRRJDHUBXPVPDOI-UHFFFAOYSA-N
XLogP1.95
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxopyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
CID 44579015
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
CID 22346465
5-[(2R)-1-carbamoyl-2-methylpyrrolidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 90938906
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[1-methyl-2-(methylamino)-5-oxopyrrolidin-3-yl]-1,6-naphthyridine-7-carboxamide
CID 22346272
5-(1,5,2-dithiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142135337
N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 55978468
tert-butyl-[2-[2-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]ethylamino]ethyl]carbamic acid
CID 22346313
5-(1,1-dihydroxy-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346479

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide (CID 22346274) is N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide is CS(=O)(=O)c1nc(C(=O)NCc2cc(F)cc(F)c2)c(O)c2ncccc12.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide?
The InChIKey is RRJDHUBXPVPDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4S/c1-27(25,26)17-12-3-2-4-20-13(12)15(23)14(22-17)16(24)21-8-9-5-10(18)7-11(19)6-9/h2-7,23H,8H2,1H3,(H,21,24).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide?
N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 22346274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).