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

C19H20FN3O4 — CID 69056896

IUPACN-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide
SMILESCOc1c2c(c(NC(C)=O)n(C)c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FN3O4/c1-11(24)21-17-14-8-9-23(10-12-4-6-13(20)7-5-12)18(25)15(14)16(27-3)19(26)22(17)2/h4-7H,8-10H2,1-3H3,(H,21,24)
InChIKeyLLYDSXMVDNBQDQ-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.69
Rot. Bonds4

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

N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide (PubChem CID 69056896) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 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-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide
PubChem CID69056896
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide
SMILESCOc1c2c(c(NC(C)=O)n(C)c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FN3O4/c1-11(24)21-17-14-8-9-23(10-12-4-6-13(20)7-5-12)18(25)15(14)16(27-3)19(26)22(17)2/h4-7H,8-10H2,1-3H3,(H,21,24)
InChIKeyLLYDSXMVDNBQDQ-UHFFFAOYSA-N
XLogP1.69
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.69
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-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide (CID 69056896) is 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-[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-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide is COc1c2c(c(NC(C)=O)n(C)c1=O)CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide?
The InChIKey is LLYDSXMVDNBQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-11(24)21-17-14-8-9-23(10-12-4-6-13(20)7-5-12)18(25)15(14)16(27-3)19(26)22(17)2/h4-7H,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide?
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 373.38 g/mol, XLogP of 1.69, 4 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-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 69056896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).