propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate

C20H24N2O3 — CID 133471654

IUPACpropan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCOc1ccccc1C1CCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-20(23)17-8-6-11-21-19(17)22-12-10-15(13-22)16-7-4-5-9-18(16)24-3/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyMUKOOAILUMJISN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.65
Rot. Bonds5

About propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate (PubChem CID 133471654) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
PubChem CID133471654
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namepropan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCOc1ccccc1C1CCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-20(23)17-8-6-11-21-19(17)22-12-10-15(13-22)16-7-4-5-9-18(16)24-3/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyMUKOOAILUMJISN-UHFFFAOYSA-N
XLogP3.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate (CID 133471654) is propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate is COc1ccccc1C1CCN(c2ncccc2C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
The InChIKey is MUKOOAILUMJISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)25-20(23)17-8-6-11-21-19(17)22-12-10-15(13-22)16-7-4-5-9-18(16)24-3/h4-9,11,14-15H,10,12-13H2,1-3H3.
What are the key properties of propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133471654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).