methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate

C13H16N2O3 — CID 78950884

IUPACmethyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccnc2C)C1
InChIInChI=1S/C13H16N2O3/c1-9-11(4-3-6-14-9)12(16)15-7-5-10(8-15)13(17)18-2/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyOUPGEWROWXDMAG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.03
Rot. Bonds2

About methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 78950884) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
PubChem CID78950884
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccnc2C)C1
InChIInChI=1S/C13H16N2O3/c1-9-11(4-3-6-14-9)12(16)15-7-5-10(8-15)13(17)18-2/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyOUPGEWROWXDMAG-UHFFFAOYSA-N
XLogP1.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 97309183
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
methyl 1-(2-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 47340240
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate (CID 78950884) is methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cccnc2C)C1.
What is the InChIKey of methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is OUPGEWROWXDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-11(4-3-6-14-9)12(16)15-7-5-10(8-15)13(17)18-2/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78950884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).