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

C27H28N4O2S — CID 172600857

IUPAC5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(C4CCN(Cc5ccccc5)CC4)nccc3cn2)cc1
InChIInChI=1S/C27H28N4O2S/c1-34(32,33)24-9-7-23(8-10-24)30-26-17-25-22(18-29-26)11-14-28-27(25)21-12-15-31(16-13-21)19-20-5-3-2-4-6-20/h2-11,14,17-18,21H,12-13,15-16,19H2,1H3,(H,29,30)
InChIKeyRIHDBCQWDRFMNX-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.16
Rot. Bonds6

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

5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (PubChem CID 172600857) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
PubChem CID172600857
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC Name5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(C4CCN(Cc5ccccc5)CC4)nccc3cn2)cc1
InChIInChI=1S/C27H28N4O2S/c1-34(32,33)24-9-7-23(8-10-24)30-26-17-25-22(18-29-26)11-14-28-27(25)21-12-15-31(16-13-21)19-20-5-3-2-4-6-20/h2-11,14,17-18,21H,12-13,15-16,19H2,1H3,(H,29,30)
InChIKeyRIHDBCQWDRFMNX-UHFFFAOYSA-N
XLogP5.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
CID 178017083
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600310
N-(1-benzylpiperidin-4-yl)-4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
CID 69118113
5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600763
5-[4-methyl-2-(pyrrolidin-3-ylmethyl)indazol-5-yl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600813
N-(1-benzylpiperidin-4-yl)-4-[(4-chloropyrimidin-2-yl)amino]-N-ethylbenzenesulfonamide
CID 91255738
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
CID 172601080
5-[2-(5-amino-3-chloropyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600972
5-(2,4-dimethylindazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600926
N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine
CID 172600109
5-(cyclohexen-1-yl)-N-(4-methylsulfonylphenyl)isoquinolin-3-amine
CID 172601093
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine
CID 123802708

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (CID 172600857) is 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is CS(=O)(=O)c1ccc(Nc2cc3c(C4CCN(Cc5ccccc5)CC4)nccc3cn2)cc1.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The InChIKey is RIHDBCQWDRFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-34(32,33)24-9-7-23(8-10-24)30-26-17-25-22(18-29-26)11-14-28-27(25)21-12-15-31(16-13-21)19-20-5-3-2-4-6-20/h2-11,14,17-18,21H,12-13,15-16,19H2,1H3,(H,29,30).
What are the key properties of 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine has a molecular weight of 472.61 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).