N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

C24H18F2N4O4 — CID 57390978

IUPACN-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C24H18F2N4O4/c1-13(31)27-14-5-7-15(8-6-14)28-24(34)17-12-30(11-16-18(25)3-2-4-19(16)26)20-9-10-21(32)29-22(20)23(17)33/h2-10,12H,11H2,1H3,(H,27,31)(H,28,34)(H,29,32)
InChIKeyUTBLBBLPNRMFHN-UHFFFAOYSA-N
MW464.43 g/mol
LogP3.23
Rot. Bonds5

About N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57390978) has the molecular formula C24H18F2N4O4 and a molecular weight of 464.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57390978
Molecular FormulaC24H18F2N4O4
Molecular Weight464.43 g/mol
Exact Mass464.13
IUPAC NameN-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C24H18F2N4O4/c1-13(31)27-14-5-7-15(8-6-14)28-24(34)17-12-30(11-16-18(25)3-2-4-19(16)26)20-9-10-21(32)29-22(20)23(17)33/h2-10,12H,11H2,1H3,(H,27,31)(H,28,34)(H,29,32)
InChIKeyUTBLBBLPNRMFHN-UHFFFAOYSA-N
XLogP3.23
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 57390978) is N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is UTBLBBLPNRMFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O4/c1-13(31)27-14-5-7-15(8-6-14)28-24(34)17-12-30(11-16-18(25)3-2-4-19(16)26)20-9-10-21(32)29-22(20)23(17)33/h2-10,12H,11H2,1H3,(H,27,31)(H,28,34)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 464.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57390978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).