1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone

C23H22ClN3O — CID 110254579

IUPAC1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCCC1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C23H22ClN3O/c24-20-7-2-1-5-18(20)16-19-6-3-8-21(26-19)22-9-4-14-27(22)23(28)15-17-10-12-25-13-11-17/h1-3,5-8,10-13,22H,4,9,14-16H2
InChIKeyWVWYGUMCMBEBQZ-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.63
Rot. Bonds5

About 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone

1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 110254579) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID110254579
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCCC1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C23H22ClN3O/c24-20-7-2-1-5-18(20)16-19-6-3-8-21(26-19)22-9-4-14-27(22)23(28)15-17-10-12-25-13-11-17/h1-3,5-8,10-13,22H,4,9,14-16H2
InChIKeyWVWYGUMCMBEBQZ-UHFFFAOYSA-N
XLogP4.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110254527
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155985300
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 110254415
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
1-[4-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110254684
2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249365
N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95818332
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone (CID 110254579) is 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCCC1c1cccc(Cc2ccccc2Cl)n1.
What is the InChIKey of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is WVWYGUMCMBEBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-20-7-2-1-5-18(20)16-19-6-3-8-21(26-19)22-9-4-14-27(22)23(28)15-17-10-12-25-13-11-17/h1-3,5-8,10-13,22H,4,9,14-16H2.
What are the key properties of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 391.90 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 110254579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).