5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine

C25H24ClN3 — CID 173211366

IUPAC5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine
SMILESClc1ccc(-c2ccc(C#Cc3ccc(CCN4CCCCC4)nc3)nc2)cc1
InChIInChI=1S/C25H24ClN3/c26-23-9-6-21(7-10-23)22-8-13-24(28-19-22)11-4-20-5-12-25(27-18-20)14-17-29-15-2-1-3-16-29/h5-10,12-13,18-19H,1-3,14-17H2
InChIKeyBLABERHBKCPEMU-UHFFFAOYSA-N
MW401.94 g/mol
LogP5.23
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine

5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine (PubChem CID 173211366) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine
PubChem CID173211366
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC Name5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine
SMILESClc1ccc(-c2ccc(C#Cc3ccc(CCN4CCCCC4)nc3)nc2)cc1
InChIInChI=1S/C25H24ClN3/c26-23-9-6-21(7-10-23)22-8-13-24(28-19-22)11-4-20-5-12-25(27-18-20)14-17-29-15-2-1-3-16-29/h5-10,12-13,18-19H,1-3,14-17H2
InChIKeyBLABERHBKCPEMU-UHFFFAOYSA-N
XLogP5.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-pyridinyl]-2-pyrrolidin-1-ylethanamine
CID 142782367
2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine
CID 59835871
5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-3-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one
CID 10095615
5-(4-chlorophenyl)-2-[2-[3-(nitrosomethyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 90907153
1-[5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methoxymethanimine
CID 59835849
1-[5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-pyridinyl]-4-methyl-1,4-diazepane;ethane
CID 142889914
5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-8-(2-pyrrolidin-1-ylethoxy)quinoline
CID 10049588
5-(4-chlorophenyl)-2-[2-[6-[3-(4,4-dimethylpiperidin-1-yl)prop-1-enyl]-3-pyridinyl]ethynyl]pyridine
CID 72631077
2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol
CID 69057844
1-[1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 11497172
1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 11504274
5-(4-chlorophenyl)-2-[2-[3-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]ethynyl]pyridine
CID 163976853

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine (CID 173211366) is 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine is Clc1ccc(-c2ccc(C#Cc3ccc(CCN4CCCCC4)nc3)nc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine?
The InChIKey is BLABERHBKCPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c26-23-9-6-21(7-10-23)22-8-13-24(28-19-22)11-4-20-5-12-25(27-18-20)14-17-29-15-2-1-3-16-29/h5-10,12-13,18-19H,1-3,14-17H2.
What are the key properties of 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine?
5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine has a molecular weight of 401.94 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine is sourced from PubChem (CID 173211366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).