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

C20H22FN3O4 — CID 54692273

IUPACN,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCCN(CC)C(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C20H22FN3O4/c1-3-23(4-2)20(28)16-14-9-10-24(11-12-5-7-13(21)8-6-12)19(27)15(14)17(25)18(26)22-16/h5-8,25H,3-4,9-11H2,1-2H3,(H,22,26)
InChIKeyJCHCCIVJELWICE-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.90
Rot. Bonds5

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

N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (PubChem CID 54692273) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
PubChem CID54692273
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCCN(CC)C(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C20H22FN3O4/c1-3-23(4-2)20(28)16-14-9-10-24(11-12-5-7-13(21)8-6-12)19(27)15(14)17(25)18(26)22-16/h5-8,25H,3-4,9-11H2,1-2H3,(H,22,26)
InChIKeyJCHCCIVJELWICE-UHFFFAOYSA-N
XLogP1.90
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The IUPAC name of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (CID 54692273) is N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is CCN(CC)C(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The InChIKey is JCHCCIVJELWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-3-23(4-2)20(28)16-14-9-10-24(11-12-5-7-13(21)8-6-12)19(27)15(14)17(25)18(26)22-16/h5-8,25H,3-4,9-11H2,1-2H3,(H,22,26).
What are the key properties of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54692273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).