1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone

C19H22N2O2 — CID 110254541

IUPAC1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C19H22N2O2/c1-23-14-19(22)21-12-6-11-18(21)17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-5,7-10,18H,6,11-14H2,1H3
InChIKeyZVTCLNFCXXSTCZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone

1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 110254541) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID110254541
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C19H22N2O2/c1-23-14-19(22)21-12-6-11-18(21)17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-5,7-10,18H,6,11-14H2,1H3
InChIKeyZVTCLNFCXXSTCZ-UHFFFAOYSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110254562
1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95818210
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
2-methoxy-1-[2-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110101896
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185
2-pyridin-2-yl-1-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818184

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone (CID 110254541) is 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC1c1cccc(Cc2ccccc2)n1.
What is the InChIKey of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is ZVTCLNFCXXSTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-14-19(22)21-12-6-11-18(21)17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-5,7-10,18H,6,11-14H2,1H3.
What are the key properties of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone?
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 310.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 110254541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).