4-(4-pyridin-2-ylphenyl)but-3-ynamide

C15H12N2O — CID 170473846

IUPAC4-(4-pyridin-2-ylphenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H12N2O/c16-15(18)6-3-4-12-7-9-13(10-8-12)14-5-1-2-11-17-14/h1-2,5,7-11H,6H2,(H2,16,18)
InChIKeyFPCBFGPHPSACJH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.98
Rot. Bonds2

About 4-(4-pyridin-2-ylphenyl)but-3-ynamide

4-(4-pyridin-2-ylphenyl)but-3-ynamide (PubChem CID 170473846) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylphenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(4-pyridin-2-ylphenyl)but-3-ynamide
PubChem CID170473846
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-(4-pyridin-2-ylphenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H12N2O/c16-15(18)6-3-4-12-7-9-13(10-8-12)14-5-1-2-11-17-14/h1-2,5,7-11H,6H2,(H2,16,18)
InChIKeyFPCBFGPHPSACJH-UHFFFAOYSA-N
XLogP1.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645
4-pyrimidin-2-ylbut-3-ynamide
CID 170472431
4-(2-chloro-3-pyridinyl)but-3-ynamide
CID 170472500
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
2,2-difluoro-2-(4-pyridin-2-ylphenyl)acetamide
CID 144811311
2-phenylpyridine;propan-2-one
CID 174845023
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
4-[4-(cyanomethyl)phenyl]but-3-ynamide
CID 170473077
hydrazine;2-phenylpyridine
CID 158673997
2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
CID 101246219
4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
CID 170474044
4-[4-(methoxymethyl)phenyl]but-3-ynamide
CID 170472949

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylphenyl)but-3-ynamide?
The IUPAC name of 4-(4-pyridin-2-ylphenyl)but-3-ynamide (CID 170473846) is 4-(4-pyridin-2-ylphenyl)but-3-ynamide.
What is the SMILES notation for 4-(4-pyridin-2-ylphenyl)but-3-ynamide?
The canonical SMILES for 4-(4-pyridin-2-ylphenyl)but-3-ynamide is NC(=O)CC#Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 4-(4-pyridin-2-ylphenyl)but-3-ynamide?
The InChIKey is FPCBFGPHPSACJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15(18)6-3-4-12-7-9-13(10-8-12)14-5-1-2-11-17-14/h1-2,5,7-11H,6H2,(H2,16,18).
What are the key properties of 4-(4-pyridin-2-ylphenyl)but-3-ynamide?
4-(4-pyridin-2-ylphenyl)but-3-ynamide has a molecular weight of 236.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylphenyl)but-3-ynamide is sourced from PubChem (CID 170473846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).