4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H22FN3O3S — CID 118910983

IUPAC4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(CN2CCc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3C2)c1
InChIInChI=1S/C23H22FN3O3S/c1-31(29,30)18-4-2-3-15(11-18)13-27-10-9-19-20(16-5-7-17(24)8-6-16)12-21(23(25)28)26-22(19)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28)
InChIKeyZYKTVKYYEABGGE-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.95
Rot. Bonds5

About 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118910983) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118910983
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(CN2CCc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3C2)c1
InChIInChI=1S/C23H22FN3O3S/c1-31(29,30)18-4-2-3-15(11-18)13-27-10-9-19-20(16-5-7-17(24)8-6-16)12-21(23(25)28)26-22(19)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28)
InChIKeyZYKTVKYYEABGGE-UHFFFAOYSA-N
XLogP2.95
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118910983) is 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CS(=O)(=O)c1cccc(CN2CCc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3C2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is ZYKTVKYYEABGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-31(29,30)18-4-2-3-15(11-18)13-27-10-9-19-20(16-5-7-17(24)8-6-16)12-21(23(25)28)26-22(19)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28).
What are the key properties of 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[(3-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118910983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).