8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate

C16H15N3O3S — CID 144631424

IUPAC8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate
SMILESCS(=O)c1ccccc1-c1cncc2ccc(C(N)=O)nc12.O
InChIInChI=1S/C16H13N3O2S.H2O/c1-22(21)14-5-3-2-4-11(14)12-9-18-8-10-6-7-13(16(17)20)19-15(10)12;/h2-9H,1H3,(H2,17,20);1H2
InChIKeyDYRCYAOBUMMKJX-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.31
Rot. Bonds3

About 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate

8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate (PubChem CID 144631424) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate.

Molecular Properties

Compound Name8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate
PubChem CID144631424
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate
SMILESCS(=O)c1ccccc1-c1cncc2ccc(C(N)=O)nc12.O
InChIInChI=1S/C16H13N3O2S.H2O/c1-22(21)14-5-3-2-4-11(14)12-9-18-8-10-6-7-13(16(17)20)19-15(10)12;/h2-9H,1H3,(H2,17,20);1H2
InChIKeyDYRCYAOBUMMKJX-UHFFFAOYSA-N
XLogP1.31
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate?
The IUPAC name of 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate (CID 144631424) is 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate.
What is the SMILES notation for 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate?
The canonical SMILES for 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate is CS(=O)c1ccccc1-c1cncc2ccc(C(N)=O)nc12.O.
What is the InChIKey of 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate?
The InChIKey is DYRCYAOBUMMKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S.H2O/c1-22(21)14-5-3-2-4-11(14)12-9-18-8-10-6-7-13(16(17)20)19-15(10)12;/h2-9H,1H3,(H2,17,20);1H2.
What are the key properties of 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate?
8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate has a molecular weight of 329.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfinylphenyl)-1,6-naphthyridine-2-carboxamide;hydrate is sourced from PubChem (CID 144631424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).