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

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

1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide (PubChem CID 110172715) has the molecular formula C26H25F2N5O4 and a molecular weight of 509.51 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide.

Molecular Properties

Compound Name	1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide
PubChem CID	110172715
Molecular Formula	C26H25F2N5O4
Molecular Weight	509.51 g/mol
Exact Mass	509.19
IUPAC Name	1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide
SMILES	CN(C)C=O.CNc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChI	InChI=1S/C23H18F2N4O3.C3H7NO/c1-26-13-5-7-14(8-6-13)27-23(32)16-12-29(11-15-17(24)3-2-4-18(15)25)19-9-10-20(30)28-21(19)22(16)31;1-4(2)3-5/h2-10,12,26H,11H2,1H3,(H,27,32)(H,28,30);3H,1-2H3
InChIKey	YTLNNORTIHUONX-UHFFFAOYSA-N
XLogP	3.01
TPSA	116.30 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide?

The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide (CID 110172715) is 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide.

What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide?

The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide is CN(C)C=O.CNc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1.

What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide?

The InChIKey is YTLNNORTIHUONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3.C3H7NO/c1-26-13-5-7-14(8-6-13)27-23(32)16-12-29(11-15-17(24)3-2-4-18(15)25)19-9-10-20(30)28-21(19)22(16)31;1-4(2)3-5/h2-10,12,26H,11H2,1H3,(H,27,32)(H,28,30);3H,1-2H3.

What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide?

1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide has a molecular weight of 509.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide is sourced from PubChem (CID 110172715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).