4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol

C21H26N2O — CID 2892522

IUPAC4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol
SMILESCCCN(CC#CC(O)(c1ccccc1)c1cccnc1)CCC
InChIInChI=1S/C21H26N2O/c1-3-15-23(16-4-2)17-9-13-21(24,19-10-6-5-7-11-19)20-12-8-14-22-18-20/h5-8,10-12,14,18,24H,3-4,15-17H2,1-2H3
InChIKeyKZOADQRVVFSXQY-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.44
Rot. Bonds7

About 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol

4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol (PubChem CID 2892522) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol
PubChem CID2892522
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol
SMILESCCCN(CC#CC(O)(c1ccccc1)c1cccnc1)CCC
InChIInChI=1S/C21H26N2O/c1-3-15-23(16-4-2)17-9-13-21(24,19-10-6-5-7-11-19)20-12-8-14-22-18-20/h5-8,10-12,14,18,24H,3-4,15-17H2,1-2H3
InChIKeyKZOADQRVVFSXQY-UHFFFAOYSA-N
XLogP3.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.44
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 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol?
The IUPAC name of 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol (CID 2892522) is 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol.
What is the SMILES notation for 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol?
The canonical SMILES for 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol is CCCN(CC#CC(O)(c1ccccc1)c1cccnc1)CCC.
What is the InChIKey of 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol?
The InChIKey is KZOADQRVVFSXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-15-23(16-4-2)17-9-13-21(24,19-10-6-5-7-11-19)20-12-8-14-22-18-20/h5-8,10-12,14,18,24H,3-4,15-17H2,1-2H3.
What are the key properties of 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol?
4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol has a molecular weight of 322.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol is sourced from PubChem (CID 2892522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).