5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C23H26N4O3S — CID 59373924

IUPAC5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCc1ccc(Nc2ccc(Oc3ncccc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1
InChIInChI=1S/C23H26N4O3S/c1-17-5-10-22(25-16-17)26-19-6-8-20(9-7-19)30-23-21(4-3-13-24-23)18-11-14-27(15-12-18)31(2,28)29/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,25,26)
InChIKeyMOALDTSEYGSILQ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.46
Rot. Bonds6

About 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 59373924) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID59373924
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCc1ccc(Nc2ccc(Oc3ncccc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1
InChIInChI=1S/C23H26N4O3S/c1-17-5-10-22(25-16-17)26-19-6-8-20(9-7-19)30-23-21(4-3-13-24-23)18-11-14-27(15-12-18)31(2,28)29/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,25,26)
InChIKeyMOALDTSEYGSILQ-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine with MolForge

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Related Compounds

N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
N-(2-ethoxyphenyl)-4-(2-(2-ethoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10477561
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
4-(2-(6-Methoxypyridin-3-ylamino)-5-((1-(methylsulfonyl)piperidin-4-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548424
N-[4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]methanesulfonamide
CID 71461081
US10450297, Example 280
CID 57584679
N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 59373927
2-Methyl-1-[4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]propan-1-one
CID 59373933
4-[[3-(4-Pyrimidinyl)-2-pyridinyl]oxy]benzenamine
CID 59373989
2-Methyl-1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 59374138
5-Methyl-N-[4-[[3-[1-(methylsulfonyl)-4-piperidinyl]-2-pyrazinyl]oxy]phenyl]-2-pyridinamine
CID 59374157
2-Methoxy-1-[4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinyl]ethanone
CID 59374198

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 59373924) is 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is Cc1ccc(Nc2ccc(Oc3ncccc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1.
What is the InChIKey of 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is MOALDTSEYGSILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-5-10-22(25-16-17)26-19-6-8-20(9-7-19)30-23-21(4-3-13-24-23)18-11-14-27(15-12-18)31(2,28)29/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,25,26).
What are the key properties of 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 438.55 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[[3-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 59373924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).