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

C24H20F2N4O3 — CID 57390975

IUPAC1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C24H20F2N4O3/c1-29(2)15-8-6-14(7-9-15)27-24(33)17-13-30(12-16-18(25)4-3-5-19(16)26)20-10-11-21(31)28-22(20)23(17)32/h3-11,13H,12H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyANNSJTYMIBLWBU-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.33
Rot. Bonds5

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

1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57390975) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57390975
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C24H20F2N4O3/c1-29(2)15-8-6-14(7-9-15)27-24(33)17-13-30(12-16-18(25)4-3-5-19(16)26)20-10-11-21(31)28-22(20)23(17)32/h3-11,13H,12H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyANNSJTYMIBLWBU-UHFFFAOYSA-N
XLogP3.33
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 57390975) is 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is ANNSJTYMIBLWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-29(2)15-8-6-14(7-9-15)27-24(33)17-13-30(12-16-18(25)4-3-5-19(16)26)20-10-11-21(31)28-22(20)23(17)32/h3-11,13H,12H2,1-2H3,(H,27,33)(H,28,31).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57390975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).