N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine

C20H20N4O2S — CID 172600767

IUPACN-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(C4=CCNCC4)nccc3cn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-27(25,26)17-4-2-16(3-5-17)24-19-12-18-15(13-23-19)8-11-22-20(18)14-6-9-21-10-7-14/h2-6,8,11-13,21H,7,9-10H2,1H3,(H,23,24)
InChIKeyFPNPKFZUSOLHFT-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.15
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine

N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine (PubChem CID 172600767) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
PubChem CID172600767
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(C4=CCNCC4)nccc3cn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-27(25,26)17-4-2-16(3-5-17)24-19-12-18-15(13-23-19)8-11-22-20(18)14-6-9-21-10-7-14/h2-6,8,11-13,21H,7,9-10H2,1H3,(H,23,24)
InChIKeyFPNPKFZUSOLHFT-UHFFFAOYSA-N
XLogP3.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine
CID 172600109
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
CID 172601080
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600310
5-(2,4-dimethylindazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600926
5-[4-methyl-2-(pyrrolidin-3-ylmethyl)indazol-5-yl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600813
5-(cyclohexen-1-yl)-N-(4-methylsulfonylphenyl)isoquinolin-3-amine
CID 172601093
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
cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
CID 172600044
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
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine (CID 172600767) is N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine is CS(=O)(=O)c1ccc(Nc2cc3c(C4=CCNCC4)nccc3cn2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine?
The InChIKey is FPNPKFZUSOLHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-27(25,26)17-4-2-16(3-5-17)24-19-12-18-15(13-23-19)8-11-22-20(18)14-6-9-21-10-7-14/h2-6,8,11-13,21H,7,9-10H2,1H3,(H,23,24).
What are the key properties of N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine?
N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine has a molecular weight of 380.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).