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

C20H16FN5O4 — CID 5275801

IUPAC5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESO=C1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC(=O)N1
InChIInChI=1S/C20H16FN5O4/c21-11-5-3-10(4-6-11)9-23-19(29)17-18(28)16-12(2-1-7-22-16)15(26-17)13-8-14(27)25-20(30)24-13/h1-7,13,28H,8-9H2,(H,23,29)(H2,24,25,27,30)
InChIKeyWFUUYLPFCWILPL-UHFFFAOYSA-N
MW409.38 g/mol
LogP1.68
Rot. Bonds4

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

5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 5275801) has the molecular formula C20H16FN5O4 and a molecular weight of 409.38 g/mol. Its IUPAC name is 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID5275801
Molecular FormulaC20H16FN5O4
Molecular Weight409.38 g/mol
Exact Mass409.12
IUPAC Name5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESO=C1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC(=O)N1
InChIInChI=1S/C20H16FN5O4/c21-11-5-3-10(4-6-11)9-23-19(29)17-18(28)16-12(2-1-7-22-16)15(26-17)13-8-14(27)25-20(30)24-13/h1-7,13,28H,8-9H2,(H,23,29)(H2,24,25,27,30)
InChIKeyWFUUYLPFCWILPL-UHFFFAOYSA-N
XLogP1.68
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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)carbonyl]piperazin-2-one
CID 135869559
5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 3013396
N-[[2-(dimethylcarbamoyl)-4-fluoro-phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 3013397
8-Hydroxy-5-(3-methyl-2,6-dioxo-hexahydro-pyrimidin-4-yl)-[1,6]naphthyridine-7-carboxylic acid 4-fluoro-benzylamide
CID 5275802
8-Hydroxy-5-(1-methyl-2,6-dioxo-hexahydro-pyrimidin-4-yl)-[1,6]naphthyridine-7-carboxylic acid 4-fluoro-benzylamide
CID 5275803
5-(1,3-dimethyl-2,6-dioxo-hexahydropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 5275804
L-870812
CID 6918643
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10150134
1-(7-{[(4-Fluorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)-4-methylpiperazine
CID 15958274
5-[[2-(dimethylamino)-2-oxoethyl](methyl)amino]-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 15958276

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 5275801) is 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is O=C1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC(=O)N1.
What is the InChIKey of 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is WFUUYLPFCWILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O4/c21-11-5-3-10(4-6-11)9-23-19(29)17-18(28)16-12(2-1-7-22-16)15(26-17)13-8-14(27)25-20(30)24-13/h1-7,13,28H,8-9H2,(H,23,29)(H2,24,25,27,30).
What are the key properties of 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 409.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxo-1,3-diazinan-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 5275801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).