N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide

C16H14ClN3O — CID 740896

IUPACN-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H14ClN3O/c1-10-7-11(2)19-16(15(10)9-18)20(12(3)21)14-6-4-5-13(17)8-14/h4-8H,1-3H3
InChIKeyAMESJMVYJRZDRD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.91
Rot. Bonds2

About N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide

N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide (PubChem CID 740896) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
PubChem CID740896
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H14ClN3O/c1-10-7-11(2)19-16(15(10)9-18)20(12(3)21)14-6-4-5-13(17)8-14/h4-8H,1-3H3
InChIKeyAMESJMVYJRZDRD-UHFFFAOYSA-N
XLogP3.91
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide (CID 740896) is N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide is CC(=O)N(c1cccc(Cl)c1)c1nc(C)cc(C)c1C#N.
What is the InChIKey of N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The InChIKey is AMESJMVYJRZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-7-11(2)19-16(15(10)9-18)20(12(3)21)14-6-4-5-13(17)8-14/h4-8H,1-3H3.
What are the key properties of N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 740896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).