N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide

C17H17N3O2 — CID 56701009

IUPACN-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide
SMILESCOc1nc(C)c(-c2cccc(NC(C)=O)c2)c(C)c1C#N
InChIInChI=1S/C17H17N3O2/c1-10-15(9-18)17(22-4)19-11(2)16(10)13-6-5-7-14(8-13)20-12(3)21/h5-8H,1-4H3,(H,20,21)
InChIKeyCNMAINMQIYEENS-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.20
Rot. Bonds3

About N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide

N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide (PubChem CID 56701009) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide
PubChem CID56701009
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide
SMILESCOc1nc(C)c(-c2cccc(NC(C)=O)c2)c(C)c1C#N
InChIInChI=1S/C17H17N3O2/c1-10-15(9-18)17(22-4)19-11(2)16(10)13-6-5-7-14(8-13)20-12(3)21/h5-8H,1-4H3,(H,20,21)
InChIKeyCNMAINMQIYEENS-UHFFFAOYSA-N
XLogP3.20
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide (CID 56701009) is N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide is COc1nc(C)c(-c2cccc(NC(C)=O)c2)c(C)c1C#N.
What is the InChIKey of N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide?
The InChIKey is CNMAINMQIYEENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-15(9-18)17(22-4)19-11(2)16(10)13-6-5-7-14(8-13)20-12(3)21/h5-8H,1-4H3,(H,20,21).
What are the key properties of N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide?
N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 56701009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).