methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate

C15H22N2O3 — CID 62028233

IUPACmethyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H22N2O3/c1-10-8-16-12(11(2)14(10)19-3)9-17-7-5-6-13(17)15(18)20-4/h8,13H,5-7,9H2,1-4H3
InChIKeyNOSQNKXKBVOLLG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds4

About methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate

methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 62028233) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
PubChem CID62028233
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H22N2O3/c1-10-8-16-12(11(2)14(10)19-3)9-17-7-5-6-13(17)15(18)20-4/h8,13H,5-7,9H2,1-4H3
InChIKeyNOSQNKXKBVOLLG-UHFFFAOYSA-N
XLogP1.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95619935
methyl (2S,4R)-4-hydroxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 56786277
[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 57091133
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62016087
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785136
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 56824166
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171690391
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95182196
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 163356436
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate (CID 62028233) is methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1ncc(C)c(OC)c1C.
What is the InChIKey of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is NOSQNKXKBVOLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-8-16-12(11(2)14(10)19-3)9-17-7-5-6-13(17)15(18)20-4/h8,13H,5-7,9H2,1-4H3.
What are the key properties of methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).