1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

C25H23N3O2S — CID 10274246

IUPAC1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCSc1ccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)cc1
InChIInChI=1S/C25H23N3O2S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(31-3)12-10-17/h4-16H,1-3H3,(H,27,30)
InChIKeyPSUSMJVQHFLIDF-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.91
Rot. Bonds5

About 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 10274246) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID10274246
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCSc1ccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)cc1
InChIInChI=1S/C25H23N3O2S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(31-3)12-10-17/h4-16H,1-3H3,(H,27,30)
InChIKeyPSUSMJVQHFLIDF-UHFFFAOYSA-N
XLogP4.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 10274246) is 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CSc1ccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)cc1.
What is the InChIKey of 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is PSUSMJVQHFLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(31-3)12-10-17/h4-16H,1-3H3,(H,27,30).
What are the key properties of 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10274246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).