5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine

C15H12IN3O2S — CID 172600310

IUPAC5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(I)nccc3cn2)cc1
InChIInChI=1S/C15H12IN3O2S/c1-22(20,21)12-4-2-11(3-5-12)19-14-8-13-10(9-18-14)6-7-17-15(13)16/h2-9H,1H3,(H,18,19)
InChIKeyCIEWPRLWEMVYPV-UHFFFAOYSA-N
MW425.25 g/mol
LogP3.38
Rot. Bonds3

About 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine

5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (PubChem CID 172600310) has the molecular formula C15H12IN3O2S and a molecular weight of 425.25 g/mol. Its IUPAC name is 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
PubChem CID172600310
Molecular FormulaC15H12IN3O2S
Molecular Weight425.25 g/mol
Exact Mass424.97
IUPAC Name5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(I)nccc3cn2)cc1
InChIInChI=1S/C15H12IN3O2S/c1-22(20,21)12-4-2-11(3-5-12)19-14-8-13-10(9-18-14)6-7-17-15(13)16/h2-9H,1H3,(H,18,19)
InChIKeyCIEWPRLWEMVYPV-UHFFFAOYSA-N
XLogP3.38
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600763
N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
CID 172600767
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046
cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
CID 172600044
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
CID 172601080
5-[2-(2-methoxy-4-pyridinyl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600118
5-[2-(5-amino-3-chloropyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600972
5-[2-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-pyridin-2-one
CID 172600323
5-(2,4-dimethylindazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600926
5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600857
ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
CID 178017083
5-[2-[6-(difluoromethyl)-3-pyridinyl]ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600378

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The IUPAC name of 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (CID 172600310) is 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is CS(=O)(=O)c1ccc(Nc2cc3c(I)nccc3cn2)cc1.
What is the InChIKey of 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The InChIKey is CIEWPRLWEMVYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O2S/c1-22(20,21)12-4-2-11(3-5-12)19-14-8-13-10(9-18-14)6-7-17-15(13)16/h2-9H,1H3,(H,18,19).
What are the key properties of 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine has a molecular weight of 425.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).