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

C17H17N3O — CID 781001

IUPACN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C17H17N3O/c1-11-5-7-15(8-6-11)20(14(4)21)17-16(10-18)12(2)9-13(3)19-17/h5-9H,1-4H3
InChIKeyYJLLPXZCMCLGKT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.56
Rot. Bonds2

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

N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide (PubChem CID 781001) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide
PubChem CID781001
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C17H17N3O/c1-11-5-7-15(8-6-11)20(14(4)21)17-16(10-18)12(2)9-13(3)19-17/h5-9H,1-4H3
InChIKeyYJLLPXZCMCLGKT-UHFFFAOYSA-N
XLogP3.56
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide?
The IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide (CID 781001) is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide is CC(=O)N(c1ccc(C)cc1)c1nc(C)cc(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide?
The InChIKey is YJLLPXZCMCLGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-5-7-15(8-6-11)20(14(4)21)17-16(10-18)12(2)9-13(3)19-17/h5-9H,1-4H3.
What are the key properties of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide?
N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 781001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).