N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide

C15H11ClN2O — CID 107300958

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide
SMILESCc1nc(Cl)ccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H11ClN2O/c1-11-13(8-9-14(16)17-11)18-15(19)10-7-12-5-3-2-4-6-12/h2-6,8-9H,1H3,(H,18,19)
InChIKeyGAUPILLGGSLYLX-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.03
Rot. Bonds1

About N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide

N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide (PubChem CID 107300958) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide
PubChem CID107300958
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide
SMILESCc1nc(Cl)ccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H11ClN2O/c1-11-13(8-9-14(16)17-11)18-15(19)10-7-12-5-3-2-4-6-12/h2-6,8-9H,1H3,(H,18,19)
InChIKeyGAUPILLGGSLYLX-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 114049220
N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
CID 113253382
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024
2-methyl-4-(3-phenylprop-2-ynoylamino)-1H-pyrrole-3-carboxylic acid
CID 82881147
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351
N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
CID 107300978
N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
CID 81271695
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
methyl 2-(3-phenylprop-2-ynoylamino)benzoate
CID 6467561
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide (CID 107300958) is N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide is Cc1nc(Cl)ccc1NC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide?
The InChIKey is GAUPILLGGSLYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-11-13(8-9-14(16)17-11)18-15(19)10-7-12-5-3-2-4-6-12/h2-6,8-9H,1H3,(H,18,19).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide?
N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide has a molecular weight of 270.72 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 107300958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).