propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate

C36H46N4O6 — CID 78023945

IUPACpropan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1OCC1CCCN1Cc1ccc(CN2CCCC2COc2ncccc2C(=O)OC(C)C)cc1
InChIInChI=1S/C36H46N4O6/c1-25(2)45-35(41)31-11-5-17-37-33(31)43-23-29-9-7-19-39(29)21-27-13-15-28(16-14-27)22-40-20-8-10-30(40)24-44-34-32(12-6-18-38-34)36(42)46-26(3)4/h5-6,11-18,25-26,29-30H,7-10,19-24H2,1-4H3
InChIKeyBXRNRNACBZVSRR-UHFFFAOYSA-N
MW630.79 g/mol
LogP5.69
Rot. Bonds14

About propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate

propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate (PubChem CID 78023945) has the molecular formula C36H46N4O6 and a molecular weight of 630.79 g/mol. Its IUPAC name is propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
PubChem CID78023945
Molecular FormulaC36H46N4O6
Molecular Weight630.79 g/mol
Exact Mass630.34
IUPAC Namepropan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1OCC1CCCN1Cc1ccc(CN2CCCC2COc2ncccc2C(=O)OC(C)C)cc1
InChIInChI=1S/C36H46N4O6/c1-25(2)45-35(41)31-11-5-17-37-33(31)43-23-29-9-7-19-39(29)21-27-13-15-28(16-14-27)22-40-20-8-10-30(40)24-44-34-32(12-6-18-38-34)36(42)46-26(3)4/h5-6,11-18,25-26,29-30H,7-10,19-24H2,1-4H3
InChIKeyBXRNRNACBZVSRR-UHFFFAOYSA-N
XLogP5.69
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
CID 67322223
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl acetate
CID 139716822
propan-2-yl 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67324124
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 114338611
2-[[2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50975136
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746
methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
CID 62347787
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
propan-2-yl 2-[4-[(4-phenylsulfanylphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate;hydrochloride
CID 67322452
N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide
CID 142692242
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate (CID 78023945) is propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1OCC1CCCN1Cc1ccc(CN2CCCC2COc2ncccc2C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is BXRNRNACBZVSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N4O6/c1-25(2)45-35(41)31-11-5-17-37-33(31)43-23-29-9-7-19-39(29)21-27-13-15-28(16-14-27)22-40-20-8-10-30(40)24-44-34-32(12-6-18-38-34)36(42)46-26(3)4/h5-6,11-18,25-26,29-30H,7-10,19-24H2,1-4H3.
What are the key properties of propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 630.79 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 78023945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).