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

C18H19N3O2 — CID 740895

IUPACN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H19N3O2/c1-5-23-16-8-6-15(7-9-16)21(14(4)22)18-17(11-19)12(2)10-13(3)20-18/h6-10H,5H2,1-4H3
InChIKeyGMCBXSRRWPLEPR-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.65
Rot. Bonds4

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

N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 740895) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide
PubChem CID740895
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H19N3O2/c1-5-23-16-8-6-15(7-9-16)21(14(4)22)18-17(11-19)12(2)10-13(3)20-18/h6-10H,5H2,1-4H3
InChIKeyGMCBXSRRWPLEPR-UHFFFAOYSA-N
XLogP3.65
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide (CID 740895) is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is GMCBXSRRWPLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-5-23-16-8-6-15(7-9-16)21(14(4)22)18-17(11-19)12(2)10-13(3)20-18/h6-10H,5H2,1-4H3.
What are the key properties of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide?
N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 740895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).