ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate

C15H22N2O2 — CID 118528700

IUPACethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate
SMILESCCOC(=O)CCc1ccncc1C1CCCN1C
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)7-6-12-8-9-16-11-13(12)14-5-4-10-17(14)2/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyJBUDBHNBOWTUAO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds5

About ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate

ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate (PubChem CID 118528700) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate
PubChem CID118528700
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate
SMILESCCOC(=O)CCc1ccncc1C1CCCN1C
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)7-6-12-8-9-16-11-13(12)14-5-4-10-17(14)2/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyJBUDBHNBOWTUAO-UHFFFAOYSA-N
XLogP2.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586
[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
CID 115018745
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
3-(3-cyclopentyl-4-pyridinyl)propanamide
CID 138571764
ethyl 3-[6-(1-formylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoate
CID 175656212
3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
CID 11991400
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
ethyl 3-(2-methylthiophen-3-yl)propanoate
CID 102837254
4-methoxy-4-oxobutanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174471430
1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one
CID 132535316
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95300977
methyl 3-(3-ethyl-4-pyridinyl)propanoate
CID 174235269

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate (CID 118528700) is ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate is CCOC(=O)CCc1ccncc1C1CCCN1C.
What is the InChIKey of ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate?
The InChIKey is JBUDBHNBOWTUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)7-6-12-8-9-16-11-13(12)14-5-4-10-17(14)2/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate?
ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate has a molecular weight of 262.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate is sourced from PubChem (CID 118528700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).