3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide

C17H15ClN2O — CID 68941571

IUPAC3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide
SMILESCN(CCc1ccccn1)C(=O)C#Cc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-20(12-10-16-7-2-3-11-19-16)17(21)9-8-14-5-4-6-15(18)13-14/h2-7,11,13H,10,12H2,1H3
InChIKeyAISMLOHLXPPLTN-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.79
Rot. Bonds3

About 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide

3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide (PubChem CID 68941571) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide
PubChem CID68941571
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide
SMILESCN(CCc1ccccn1)C(=O)C#Cc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-20(12-10-16-7-2-3-11-19-16)17(21)9-8-14-5-4-6-15(18)13-14/h2-7,11,13H,10,12H2,1H3
InChIKeyAISMLOHLXPPLTN-UHFFFAOYSA-N
XLogP2.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 61075111
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The IUPAC name of 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide (CID 68941571) is 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide is CN(CCc1ccccn1)C(=O)C#Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The InChIKey is AISMLOHLXPPLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-20(12-10-16-7-2-3-11-19-16)17(21)9-8-14-5-4-6-15(18)13-14/h2-7,11,13H,10,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide has a molecular weight of 298.77 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)prop-2-ynamide is sourced from PubChem (CID 68941571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).