1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone

C19H21ClN2O2 — CID 95818099

IUPAC1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C19H21ClN2O2/c1-24-13-19(23)22-11-5-10-18(22)17-9-4-7-15(21-17)12-14-6-2-3-8-16(14)20/h2-4,6-9,18H,5,10-13H2,1H3/t18-/m0/s1
InChIKeyOOUHOTIXGITHCI-SFHVURJKSA-N
MW344.84 g/mol
LogP3.64
Rot. Bonds5

About 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone

1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 95818099) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID95818099
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C19H21ClN2O2/c1-24-13-19(23)22-11-5-10-18(22)17-9-4-7-15(21-17)12-14-6-2-3-8-16(14)20/h2-4,6-9,18H,5,10-13H2,1H3/t18-/m0/s1
InChIKeyOOUHOTIXGITHCI-SFHVURJKSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 110254579
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
1-[4-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110254684
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 110254415
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155985300
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110254527
N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95818332
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone
CID 124990360
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone (CID 95818099) is 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is OOUHOTIXGITHCI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-13-19(23)22-11-5-10-18(22)17-9-4-7-15(21-17)12-14-6-2-3-8-16(14)20/h2-4,6-9,18H,5,10-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 344.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95818099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).