2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide

C21H27N3O2 — CID 95818195

IUPAC2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1Cc1cccc([C@@H]2CCCN2CC(=O)N(C)C)n1
InChIInChI=1S/C21H27N3O2/c1-23(2)21(25)15-24-13-7-11-19(24)18-10-6-9-17(22-18)14-16-8-4-5-12-20(16)26-3/h4-6,8-10,12,19H,7,11,13-15H2,1-3H3/t19-/m0/s1
InChIKeyGYPMZPPVBXINIT-IBGZPJMESA-N
MW353.47 g/mol
LogP2.91
Rot. Bonds6

About 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide

2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide (PubChem CID 95818195) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
PubChem CID95818195
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1Cc1cccc([C@@H]2CCCN2CC(=O)N(C)C)n1
InChIInChI=1S/C21H27N3O2/c1-23(2)21(25)15-24-13-7-11-19(24)18-10-6-9-17(22-18)14-16-8-4-5-12-20(16)26-3/h4-6,8-10,12,19H,7,11,13-15H2,1-3H3/t19-/m0/s1
InChIKeyGYPMZPPVBXINIT-IBGZPJMESA-N
XLogP2.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817932
N-cyclohexyl-2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817931
2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818198
N,N-dimethyl-2-[(2R)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818189
1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712
2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817922
N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818201
N,N-dimethyl-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818200
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808984
4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809660
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 95817863

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide (CID 95818195) is 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide is COc1ccccc1Cc1cccc([C@@H]2CCCN2CC(=O)N(C)C)n1.
What is the InChIKey of 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GYPMZPPVBXINIT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(2)21(25)15-24-13-7-11-19(24)18-10-6-9-17(22-18)14-16-8-4-5-12-20(16)26-3/h4-6,8-10,12,19H,7,11,13-15H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 353.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95818195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).