[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate

C23H32N4O6 — CID 68567438

IUPAC[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCOc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCO)nc1C
InChIInChI=1S/C23H32N4O6/c1-15(2)31-23(29)33-27-12-8-18(9-13-27)32-20-7-11-24-22(21(20)30-4)26-19-6-5-17(10-14-28)25-16(19)3/h5-7,11,15,18,28H,8-10,12-14H2,1-4H3,(H,24,26)
InChIKeyODFGGMKLXPUGGO-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.39
Rot. Bonds9

About [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate

[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate (PubChem CID 68567438) has the molecular formula C23H32N4O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
PubChem CID68567438
Molecular FormulaC23H32N4O6
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC Name[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCOc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCO)nc1C
InChIInChI=1S/C23H32N4O6/c1-15(2)31-23(29)33-27-12-8-18(9-13-27)32-20-7-11-24-22(21(20)30-4)26-19-6-5-17(10-14-28)25-16(19)3/h5-7,11,15,18,28H,8-10,12-14H2,1-4H3,(H,24,26)
InChIKeyODFGGMKLXPUGGO-UHFFFAOYSA-N
XLogP3.39
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate with MolForge

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Launch Full Analysis

Related Compounds

[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567432
[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567838
[4-[[3-methoxy-2-[[2-methyl-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567463
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11496562
propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 91492715
4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 143273552
propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11569941
[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68534432
propan-2-yl 4-[[2-[[2-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 59314598
[4-[[2-(2-fluoro-4-methylsulfonylanilino)-3-hydroxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68564988
[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 69160848
propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 69175430

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The IUPAC name of [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate (CID 68567438) is [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The canonical SMILES for [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is COc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCO)nc1C.
What is the InChIKey of [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The InChIKey is ODFGGMKLXPUGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6/c1-15(2)31-23(29)33-27-12-8-18(9-13-27)32-20-7-11-24-22(21(20)30-4)26-19-6-5-17(10-14-28)25-16(19)3/h5-7,11,15,18,28H,8-10,12-14H2,1-4H3,(H,24,26).
What are the key properties of [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate has a molecular weight of 460.53 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is sourced from PubChem (CID 68567438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).