5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine

C20H21N3 — CID 10357631

IUPAC5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine
SMILESNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1
InChIInChI=1S/C20H21N3/c21-20-10-9-17(16-22-20)6-4-5-13-23-14-11-19(12-15-23)18-7-2-1-3-8-18/h1-3,7-11,16H,5,12-15H2,(H2,21,22)
InChIKeyKAPNJGZVRYPTJW-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.19
Rot. Bonds3

About 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine

5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine (PubChem CID 10357631) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine
PubChem CID10357631
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine
SMILESNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1
InChIInChI=1S/C20H21N3/c21-20-10-9-17(16-22-20)6-4-5-13-23-14-11-19(12-15-23)18-7-2-1-3-8-18/h1-3,7-11,16H,5,12-15H2,(H2,21,22)
InChIKeyKAPNJGZVRYPTJW-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
The IUPAC name of 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine (CID 10357631) is 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
The canonical SMILES for 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine is Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
The InChIKey is KAPNJGZVRYPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c21-20-10-9-17(16-22-20)6-4-5-13-23-14-11-19(12-15-23)18-7-2-1-3-8-18/h1-3,7-11,16H,5,12-15H2,(H2,21,22).
What are the key properties of 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine has a molecular weight of 303.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine is sourced from PubChem (CID 10357631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).