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

C17H17N3O2 — CID 656367

IUPACN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C17H17N3O2/c1-11-8-12(2)19-17(16(11)10-18)20(13(3)21)14-6-5-7-15(9-14)22-4/h5-9H,1-4H3
InChIKeyVKQKOOZZLOKLOW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds3

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

N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide (PubChem CID 656367) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide
PubChem CID656367
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C17H17N3O2/c1-11-8-12(2)19-17(16(11)10-18)20(13(3)21)14-6-5-7-15(9-14)22-4/h5-9H,1-4H3
InChIKeyVKQKOOZZLOKLOW-UHFFFAOYSA-N
XLogP3.26
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
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-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide (CID 656367) is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide is COc1cccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is VKQKOOZZLOKLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-8-12(2)19-17(16(11)10-18)20(13(3)21)14-6-5-7-15(9-14)22-4/h5-9H,1-4H3.
What are the key properties of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide?
N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.26, 3 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 656367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).