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

C22H16N4O2S — CID 172601046

IUPACN-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(C#Cc4cccnc4)nccc3cn2)cc1
InChIInChI=1S/C22H16N4O2S/c1-29(27,28)19-7-5-18(6-8-19)26-22-13-20-17(15-25-22)10-12-24-21(20)9-4-16-3-2-11-23-14-16/h2-3,5-8,10-15H,1H3,(H,25,26)
InChIKeyZILOMLYTCBSILI-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.57
Rot. Bonds3

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

N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine (PubChem CID 172601046) has the molecular formula C22H16N4O2S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
PubChem CID172601046
Molecular FormulaC22H16N4O2S
Molecular Weight400.46 g/mol
Exact Mass400.10
IUPAC NameN-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(C#Cc4cccnc4)nccc3cn2)cc1
InChIInChI=1S/C22H16N4O2S/c1-29(27,28)19-7-5-18(6-8-19)26-22-13-20-17(15-25-22)10-12-24-21(20)9-4-16-3-2-11-23-14-16/h2-3,5-8,10-15H,1H3,(H,25,26)
InChIKeyZILOMLYTCBSILI-UHFFFAOYSA-N
XLogP3.57
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-[6-(difluoromethyl)-3-pyridinyl]ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600378
5-[2-(2-methoxy-4-pyridinyl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600118
5-[2-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-pyridin-2-one
CID 172600323
5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600763
5-[2-(1,3-benzodioxol-5-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600888
N-(4-methylsulfonylphenyl)-5-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethynyl]-2,6-naphthyridin-3-amine
CID 172600851
5-[2-(5-amino-3-chloropyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600972
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600310
4-[[5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]-2,6-naphthyridin-3-yl]amino]benzenesulfonic acid
CID 172600003
N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
CID 172600767
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine (CID 172601046) is N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine is CS(=O)(=O)c1ccc(Nc2cc3c(C#Cc4cccnc4)nccc3cn2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine?
The InChIKey is ZILOMLYTCBSILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S/c1-29(27,28)19-7-5-18(6-8-19)26-22-13-20-17(15-25-22)10-12-24-21(20)9-4-16-3-2-11-23-14-16/h2-3,5-8,10-15H,1H3,(H,25,26).
What are the key properties of N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine?
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine has a molecular weight of 400.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172601046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).