1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

C26H24ClFN4O3 — CID 56928304

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
InChIKeyWZRPREYJPXVHGG-UHFFFAOYSA-N
MW494.95 g/mol
LogP4.63
Rot. Bonds7

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

1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 56928304) has the molecular formula C26H24ClFN4O3 and a molecular weight of 494.95 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID56928304
Molecular FormulaC26H24ClFN4O3
Molecular Weight494.95 g/mol
Exact Mass494.15
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
InChIKeyWZRPREYJPXVHGG-UHFFFAOYSA-N
XLogP4.63
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.95
LogP ≤ 54.63
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-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 56928304) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is WZRPREYJPXVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 494.95 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 56928304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).