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

C21H18FN5O4 — CID 5275802

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide
SMILESCN1C(=O)NC(=O)CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C21H18FN5O4/c1-27-14(9-15(28)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,25,28,31)
InChIKeyUWEUYZOZQMIHHL-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.02
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide (PubChem CID 5275802) 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-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide
PubChem CID5275802
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide
SMILESCN1C(=O)NC(=O)CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C21H18FN5O4/c1-27-14(9-15(28)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,25,28,31)
InChIKeyUWEUYZOZQMIHHL-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-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-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide (CID 5275802) is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-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-(3-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-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide is CN1C(=O)NC(=O)CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide?
The InChIKey is UWEUYZOZQMIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-27-14(9-15(28)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,25,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-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-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 5275802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).