(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide

C15H27N3O2 — CID 154757211

IUPAC(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCCN2CC=C(C)CC2)N(C)C1
InChIInChI=1S/C15H27N3O2/c1-12-4-7-18(8-5-12)9-6-16-15(19)14-10-13(20-3)11-17(14)2/h4,13-14H,5-11H2,1-3H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyDGGHVORBUQHJOA-KBPBESRZSA-N
MW281.40 g/mol
LogP0.47
Rot. Bonds5

About (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 154757211) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID154757211
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCCN2CC=C(C)CC2)N(C)C1
InChIInChI=1S/C15H27N3O2/c1-12-4-7-18(8-5-12)9-6-16-15(19)14-10-13(20-3)11-17(14)2/h4,13-14H,5-11H2,1-3H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyDGGHVORBUQHJOA-KBPBESRZSA-N
XLogP0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128985002
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128980203
(2S,4S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128983915
(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 128980178
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128975644
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 128975610
(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128987454
(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985996
(2S,4S)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-methoxy-N,1-dimethylpyrrolidine-2-carboxamide
CID 128975607
(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128980218

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide (CID 154757211) is (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)NCCN2CC=C(C)CC2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DGGHVORBUQHJOA-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-4-7-18(8-5-12)9-6-16-15(19)14-10-13(20-3)11-17(14)2/h4,13-14H,5-11H2,1-3H3,(H,16,19)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154757211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).