5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C19H17FN4O3 — CID 15958277

IUPAC5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCC(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C19H17FN4O3/c1-11(25)24(2)18-14-4-3-9-21-15(14)17(26)16(23-18)19(27)22-10-12-5-7-13(20)8-6-12/h3-9,26H,10H2,1-2H3,(H,22,27)
InChIKeyWXPPJCCGUFQJSD-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.39
Rot. Bonds4

About 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 15958277) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID15958277
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCC(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C19H17FN4O3/c1-11(25)24(2)18-14-4-3-9-21-15(14)17(26)16(23-18)19(27)22-10-12-5-7-13(20)8-6-12/h3-9,26H,10H2,1-2H3,(H,22,27)
InChIKeyWXPPJCCGUFQJSD-UHFFFAOYSA-N
XLogP2.39
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 457930
N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 6483031
4-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide
CID 135451034
1-[7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]hexahydropyrimidin-2-one
CID 135508477
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)piperazin-2-one
CID 135540515
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)pyrrolidin-2-one
CID 135869508
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)piperidin-2-one
CID 135869509
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)azepan-2-one
CID 135869510
N-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)acetamide
CID 135869511
N-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-N-methylacetamide
CID 135869512
Ethyl 2-[[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]amino]-2-oxo-acetate
CID 135869513
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-3-methylimidazolidin-2-one
CID 135869515

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 15958277) is 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CC(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12.
What is the InChIKey of 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is WXPPJCCGUFQJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11(25)24(2)18-14-4-3-9-21-15(14)17(26)16(23-18)19(27)22-10-12-5-7-13(20)8-6-12/h3-9,26H,10H2,1-2H3,(H,22,27).
What are the key properties of 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 15958277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).