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

C21H22FN3O5 — CID 69059585

IUPACN-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide
SMILESCOc1c2c(c(N(C(C)=O)C(C)=O)n(C)c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C21H22FN3O5/c1-12(26)25(13(2)27)19-16-9-10-24(11-14-5-7-15(22)8-6-14)20(28)17(16)18(30-4)21(29)23(19)3/h5-8H,9-11H2,1-4H3
InChIKeyZTBWFYGVJOGSLU-UHFFFAOYSA-N
MW415.42 g/mol
LogP1.63
Rot. Bonds4

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

N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide (PubChem CID 69059585) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide
PubChem CID69059585
Molecular FormulaC21H22FN3O5
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide
SMILESCOc1c2c(c(N(C(C)=O)C(C)=O)n(C)c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C21H22FN3O5/c1-12(26)25(13(2)27)19-16-9-10-24(11-14-5-7-15(22)8-6-14)20(28)17(16)18(30-4)21(29)23(19)3/h5-8H,9-11H2,1-4H3
InChIKeyZTBWFYGVJOGSLU-UHFFFAOYSA-N
XLogP1.63
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide?
The IUPAC name of N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide (CID 69059585) is N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide is COc1c2c(c(N(C(C)=O)C(C)=O)n(C)c1=O)CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide?
The InChIKey is ZTBWFYGVJOGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-12(26)25(13(2)27)19-16-9-10-24(11-14-5-7-15(22)8-6-14)20(28)17(16)18(30-4)21(29)23(19)3/h5-8H,9-11H2,1-4H3.
What are the key properties of N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide?
N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide has a molecular weight of 415.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 69059585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).