3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide

C17H16N2O — CID 23627984

IUPAC3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
SMILESCc1cccc(C#CC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C17H16N2O/c1-14-5-4-6-15(13-14)8-9-17(20)19-12-10-16-7-2-3-11-18-16/h2-7,11,13H,10,12H2,1H3,(H,19,20)
InChIKeyPCKUFXSCJFVWMC-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.10
Rot. Bonds3

About 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide

3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide (PubChem CID 23627984) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
PubChem CID23627984
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
SMILESCc1cccc(C#CC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C17H16N2O/c1-14-5-4-6-15(13-14)8-9-17(20)19-12-10-16-7-2-3-11-18-16/h2-7,11,13H,10,12H2,1H3,(H,19,20)
InChIKeyPCKUFXSCJFVWMC-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.10
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

3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627982
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 11221120
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The IUPAC name of 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide (CID 23627984) is 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide is Cc1cccc(C#CC(=O)NCCc2ccccn2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The InChIKey is PCKUFXSCJFVWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-14-5-4-6-15(13-14)8-9-17(20)19-12-10-16-7-2-3-11-18-16/h2-7,11,13H,10,12H2,1H3,(H,19,20).
What are the key properties of 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide has a molecular weight of 264.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide is sourced from PubChem (CID 23627984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).