2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C18H17ClN2O — CID 25057185

IUPAC2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C18H17ClN2O/c19-16-8-6-14(7-9-16)12-18(22)21-11-3-4-15(13-21)17-5-1-2-10-20-17/h1-2,4-10H,3,11-13H2
InChIKeyINYWNRCDYBSMAZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.59
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 25057185) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID25057185
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C18H17ClN2O/c19-16-8-6-14(7-9-16)12-18(22)21-11-3-4-15(13-21)17-5-1-2-10-20-17/h1-2,4-10H,3,11-13H2
InChIKeyINYWNRCDYBSMAZ-UHFFFAOYSA-N
XLogP3.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 25057185) is 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCC=C(c2ccccn2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is INYWNRCDYBSMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-16-8-6-14(7-9-16)12-18(22)21-11-3-4-15(13-21)17-5-1-2-10-20-17/h1-2,4-10H,3,11-13H2.
What are the key properties of 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 312.80 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 25057185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).