4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine

C23H26N4O3S — CID 68941098

IUPAC4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)c(C)n1
InChIInChI=1S/C23H26N4O3S/c1-17-6-11-22(18(2)25-17)30-20-12-13-24-23(16-20)26-19-7-9-21(10-8-19)31(28,29)27-14-4-3-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26)
InChIKeyLFTGGVBYSSLAHV-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.80
Rot. Bonds6

About 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine (PubChem CID 68941098) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
PubChem CID68941098
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)c(C)n1
InChIInChI=1S/C23H26N4O3S/c1-17-6-11-22(18(2)25-17)30-20-12-13-24-23(16-20)26-19-7-9-21(10-8-19)31(28,29)27-14-4-3-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26)
InChIKeyLFTGGVBYSSLAHV-UHFFFAOYSA-N
XLogP4.80
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
CID 68945631
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
CID 59543950
4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide
CID 68946406
3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 68939373
4-N-(4-fluorophenyl)-2-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 141211169
4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine
CID 166063490
6-(4-piperidin-1-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 42635096
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methylquinolin-4-amine
CID 39853036
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine (CID 68941098) is 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine is Cc1ccc(Oc2ccnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine?
The InChIKey is LFTGGVBYSSLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-6-11-22(18(2)25-17)30-20-12-13-24-23(16-20)26-19-7-9-21(10-8-19)31(28,29)27-14-4-3-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26).
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine?
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine has a molecular weight of 438.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 68941098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).