6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine

C20H20ClN3 — CID 67550073

IUPAC6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine
SMILESNc1ccc(C#CCCN2CC=C(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C20H20ClN3/c21-18-6-4-16(5-7-18)17-10-13-24(14-11-17)12-2-1-3-20-9-8-19(22)15-23-20/h4-10,15H,2,11-14,22H2
InChIKeyAWZPBUWFYLPYTJ-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.85
Rot. Bonds3

About 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine

6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine (PubChem CID 67550073) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine
PubChem CID67550073
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine
SMILESNc1ccc(C#CCCN2CC=C(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C20H20ClN3/c21-18-6-4-16(5-7-18)17-10-13-24(14-11-17)12-2-1-3-20-9-8-19(22)15-23-20/h4-10,15H,2,11-14,22H2
InChIKeyAWZPBUWFYLPYTJ-UHFFFAOYSA-N
XLogP3.85
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine with MolForge

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Desloratadine
CID 124087
Dexchlorpheniramine
CID 33036
(-)-Chlorpheniramine
CID 716121
13-Chloro-2-(1-ethylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10315110
2-(4'-Chlorobenzyl)pyridine
CID 78054
N-Methyldesloratadine
CID 31843
N-[(3-Chloropyridin-2-yl)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
4-[2-(4-Chloro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399649
4-(4-chlorobenzyl)-N-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]piperazin-1-amine
CID 5343521
2-(P-Chlorostyryl)pyridine
CID 219326
2-(4-Chlorophenyl)quinoxaline
CID 754124

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine?
The IUPAC name of 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine (CID 67550073) is 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine.
What is the SMILES notation for 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine?
The canonical SMILES for 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine is Nc1ccc(C#CCCN2CC=C(c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine?
The InChIKey is AWZPBUWFYLPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-18-6-4-16(5-7-18)17-10-13-24(14-11-17)12-2-1-3-20-9-8-19(22)15-23-20/h4-10,15H,2,11-14,22H2.
What are the key properties of 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine?
6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine has a molecular weight of 337.85 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine is sourced from PubChem (CID 67550073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).