N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide

C21H23N3O3 — CID 1271347

IUPACN-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCOc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N
InChIInChI=1S/C21H23N3O3/c1-13(2)10-16-11-18(17-8-6-7-9-20(17)27-5)19(12-22)21(23-16)24(14(3)25)15(4)26/h6-9,11,13H,10H2,1-5H3
InChIKeyZBACUAIFYHLCCR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.73
Rot. Bonds5

About N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide

N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide (PubChem CID 1271347) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
PubChem CID1271347
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCOc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N
InChIInChI=1S/C21H23N3O3/c1-13(2)10-16-11-18(17-8-6-7-9-20(17)27-5)19(12-22)21(23-16)24(14(3)25)15(4)26/h6-9,11,13H,10H2,1-5H3
InChIKeyZBACUAIFYHLCCR-UHFFFAOYSA-N
XLogP3.73
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The IUPAC name of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide (CID 1271347) is N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide is COc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N.
What is the InChIKey of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The InChIKey is ZBACUAIFYHLCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)10-16-11-18(17-8-6-7-9-20(17)27-5)19(12-22)21(23-16)24(14(3)25)15(4)26/h6-9,11,13H,10H2,1-5H3.
What are the key properties of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 1271347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).