N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

C21H23N5O3S — CID 59374206

IUPACN-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C21H23N5O3S/c1-30(27,28)26-14-9-16(10-15-26)20-21(24-13-12-23-20)29-18-7-5-17(6-8-18)25-19-4-2-3-11-22-19/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,22,25)
InChIKeyIWZHGAPOISFNPW-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.55
Rot. Bonds6

About N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 59374206) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID59374206
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C21H23N5O3S/c1-30(27,28)26-14-9-16(10-15-26)20-21(24-13-12-23-20)29-18-7-5-17(6-8-18)25-19-4-2-3-11-22-19/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,22,25)
InChIKeyIWZHGAPOISFNPW-UHFFFAOYSA-N
XLogP3.55
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-{[4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxypyridin-2-yl]amino}benzenesulfonamide
CID 25192275
4-({4-[(2,6-Dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
CID 25192277
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
N-[4-[[3-(4-Morpholinyl)-2-pyrazinyl]oxy]phenyl]-2-pyridinamine
CID 59373996
5-Methyl-N-[4-[[3-[1-(methylsulfonyl)-4-piperidinyl]-2-pyridinyl]oxy]phenyl]-2-pyridinamine
CID 59373924
Cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone
CID 59373971
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
Ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxylate
CID 59374306

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 59374206) is N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is CS(=O)(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is IWZHGAPOISFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-30(27,28)26-14-9-16(10-15-26)20-21(24-13-12-23-20)29-18-7-5-17(6-8-18)25-19-4-2-3-11-22-19/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,22,25).
What are the key properties of N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 425.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59374206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).