N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide

C19H20FN3O4 — CID 54684489

IUPACN-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H20FN3O4/c1-11(24)21(2)17-14-8-9-23(10-12-4-6-13(20)7-5-12)18(26)15(14)16(25)19(27)22(17)3/h4-7,25H,8-10H2,1-3H3
InChIKeyFJPRCJMUJGQTBS-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.41
Rot. Bonds3

About N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide

N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide (PubChem CID 54684489) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide
PubChem CID54684489
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H20FN3O4/c1-11(24)21(2)17-14-8-9-23(10-12-4-6-13(20)7-5-12)18(26)15(14)16(25)19(27)22(17)3/h4-7,25H,8-10H2,1-3H3
InChIKeyFJPRCJMUJGQTBS-UHFFFAOYSA-N
XLogP1.41
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide (CID 54684489) is N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide is CC(=O)N(C)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide?
The InChIKey is FJPRCJMUJGQTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-11(24)21(2)17-14-8-9-23(10-12-4-6-13(20)7-5-12)18(26)15(14)16(25)19(27)22(17)3/h4-7,25H,8-10H2,1-3H3.
What are the key properties of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide?
N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide has a molecular weight of 373.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methylacetamide is sourced from PubChem (CID 54684489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).