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

C23H18F2N4O3 — CID 57390976

IUPAC1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCNc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C23H18F2N4O3/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/h2-10,12,26H,11H2,1H3,(H,27,32)(H,28,30)
InChIKeyXAIXRJONTNTVTN-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.31
Rot. Bonds5

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

1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57390976) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57390976
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCNc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C23H18F2N4O3/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/h2-10,12,26H,11H2,1H3,(H,27,32)(H,28,30)
InChIKeyXAIXRJONTNTVTN-UHFFFAOYSA-N
XLogP3.31
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 57390976) is 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is 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?
The InChIKey is XAIXRJONTNTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/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/h2-10,12,26H,11H2,1H3,(H,27,32)(H,28,30).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 57390976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).