ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate

C24H27N5O3 — CID 59374306

IUPACethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-3-31-24(30)29-14-10-18(11-15-29)22-23(26-13-12-25-22)32-20-7-5-19(6-8-20)28-21-9-4-17(2)16-27-21/h4-9,12-13,16,18H,3,10-11,14-15H2,1-2H3,(H,27,28)
InChIKeyUJQBUXIQXFHMFK-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.05
Rot. Bonds6

About ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate

ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate (PubChem CID 59374306) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate
PubChem CID59374306
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Nameethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-3-31-24(30)29-14-10-18(11-15-29)22-23(26-13-12-25-22)32-20-7-5-19(6-8-20)28-21-9-4-17(2)16-27-21/h4-9,12-13,16,18H,3,10-11,14-15H2,1-2H3,(H,27,28)
InChIKeyUJQBUXIQXFHMFK-UHFFFAOYSA-N
XLogP5.05
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
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-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
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-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
8-[[(5-Cyclobutyloxy-2-pyridinyl)amino]methyl]-3-pyridin-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44159353
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486581

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate (CID 59374306) is ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)CC1.
What is the InChIKey of ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate?
The InChIKey is UJQBUXIQXFHMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-3-31-24(30)29-14-10-18(11-15-29)22-23(26-13-12-25-22)32-20-7-5-19(6-8-20)28-21-9-4-17(2)16-27-21/h4-9,12-13,16,18H,3,10-11,14-15H2,1-2H3,(H,27,28).
What are the key properties of ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate?
ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59374306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).