2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

C20H24N4O2 — CID 51124349

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C20H24N4O2/c1-13-7-15-16(8-20(2,3)9-17(15)26-13)23-19(25)12-24(4)18-6-5-14(10-21)11-22-18/h5-7,11,16H,8-9,12H2,1-4H3,(H,23,25)
InChIKeyMXYIZCGSACDVLA-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.12
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (PubChem CID 51124349) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
PubChem CID51124349
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C20H24N4O2/c1-13-7-15-16(8-20(2,3)9-17(15)26-13)23-19(25)12-24(4)18-6-5-14(10-21)11-22-18/h5-7,11,16H,8-9,12H2,1-4H3,(H,23,25)
InChIKeyMXYIZCGSACDVLA-UHFFFAOYSA-N
XLogP3.12
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)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 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (CID 51124349) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)CN(C)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The InChIKey is MXYIZCGSACDVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-7-15-16(8-20(2,3)9-17(15)26-13)23-19(25)12-24(4)18-6-5-14(10-21)11-22-18/h5-7,11,16H,8-9,12H2,1-4H3,(H,23,25).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 51124349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).