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

C21H18FN5O4 — CID 5275803

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide
SMILESCN1C(=O)CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC1=O
InChIInChI=1S/C21H18FN5O4/c1-27-15(28)9-14(25-21(27)31)16-13-3-2-8-23-17(13)19(29)18(26-16)20(30)24-10-11-4-6-12(22)7-5-11/h2-8,14,29H,9-10H2,1H3,(H,24,30)(H,25,31)
InChIKeyNUEAXWSMEDAKSG-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.02
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide (PubChem CID 5275803) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide
PubChem CID5275803
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide
SMILESCN1C(=O)CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC1=O
InChIInChI=1S/C21H18FN5O4/c1-27-15(28)9-14(25-21(27)31)16-13-3-2-8-23-17(13)19(29)18(26-16)20(30)24-10-11-4-6-12(22)7-5-11/h2-8,14,29H,9-10H2,1H3,(H,24,30)(H,25,31)
InChIKeyNUEAXWSMEDAKSG-UHFFFAOYSA-N
XLogP2.02
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
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
5-(2,6-dioxohexahydropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 5275801
8-Hydroxy-5-(3-methyl-2,6-dioxo-hexahydro-pyrimidin-4-yl)-[1,6]naphthyridine-7-carboxylic acid 4-fluoro-benzylamide
CID 5275802
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-[[2-[2-(dimethylamino)-2-oxo-ethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10128243
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10150134
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxo-ethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 10152095

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide (CID 5275803) is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide is CN1C(=O)CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide?
The InChIKey is NUEAXWSMEDAKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-27-15(28)9-14(25-21(27)31)16-13-3-2-8-23-17(13)19(29)18(26-16)20(30)24-10-11-4-6-12(22)7-5-11/h2-8,14,29H,9-10H2,1H3,(H,24,30)(H,25,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 5275803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).