propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate

C24H34N4O6 — CID 11496562

IUPACpropan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1ccc(OCCCO)nc1C
InChIInChI=1S/C24H34N4O6/c1-16(2)33-24(30)28-12-9-18(10-13-28)34-20-8-11-25-23(22(20)31-4)27-19-6-7-21(26-17(19)3)32-15-5-14-29/h6-8,11,16,18,29H,5,9-10,12-15H2,1-4H3,(H,25,27)
InChIKeyIGXRTOWWAXBMPW-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.69
Rot. Bonds10

About propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate

propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 11496562) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID11496562
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Namepropan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1ccc(OCCCO)nc1C
InChIInChI=1S/C24H34N4O6/c1-16(2)33-24(30)28-12-9-18(10-13-28)34-20-8-11-25-23(22(20)31-4)27-19-6-7-21(26-17(19)3)32-15-5-14-29/h6-8,11,16,18,29H,5,9-10,12-15H2,1-4H3,(H,25,27)
InChIKeyIGXRTOWWAXBMPW-UHFFFAOYSA-N
XLogP3.69
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 11496562) is propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is COc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1ccc(OCCCO)nc1C.
What is the InChIKey of propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is IGXRTOWWAXBMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-16(2)33-24(30)28-12-9-18(10-13-28)34-20-8-11-25-23(22(20)31-4)27-19-6-7-21(26-17(19)3)32-15-5-14-29/h6-8,11,16,18,29H,5,9-10,12-15H2,1-4H3,(H,25,27).
What are the key properties of propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 11496562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).