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

C20H18FN5O3 — CID 22346465

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(N2CCCNC2=O)c2cccnc2c1O
InChIInChI=1S/C20H18FN5O3/c21-13-6-4-12(5-7-13)11-24-19(28)16-17(27)15-14(3-1-8-22-15)18(25-16)26-10-2-9-23-20(26)29/h1,3-8,27H,2,9-11H2,(H,23,29)(H,24,28)
InChIKeyVBGYVEZBFLSRRX-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.32
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide (PubChem CID 22346465) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
PubChem CID22346465
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(N2CCCNC2=O)c2cccnc2c1O
InChIInChI=1S/C20H18FN5O3/c21-13-6-4-12(5-7-13)11-24-19(28)16-17(27)15-14(3-1-8-22-15)18(25-16)26-10-2-9-23-20(26)29/h1,3-8,27H,2,9-11H2,(H,23,29)(H,24,28)
InChIKeyVBGYVEZBFLSRRX-UHFFFAOYSA-N
XLogP2.32
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
5-(1,1-dihydroxy-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346479
5-(1,1-dioxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10303080
5-(1,5,2-dithiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142135337
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638
5-(1,1-dioxido-1,5,2-dithiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346260
5-(5-ethyl-1,1-dioxido-4-oxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346335
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxopyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
CID 44579015
tert-butyl 2-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,2,5-thiadiazepane-5-carboxylate
CID 70130185
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
CID 10137646

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide (CID 22346465) is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(N2CCCNC2=O)c2cccnc2c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide?
The InChIKey is VBGYVEZBFLSRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-13-6-4-12(5-7-13)11-24-19(28)16-17(27)15-14(3-1-8-22-15)18(25-16)26-10-2-9-23-20(26)29/h1,3-8,27H,2,9-11H2,(H,23,29)(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 22346465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).