2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide

C20H27N3O — CID 69450880

IUPAC2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide
SMILESCc1ccc(-c2c(CC(N)=O)c(C)nc(CC(C)C)c2CN)cc1
InChIInChI=1S/C20H27N3O/c1-12(2)9-18-17(11-21)20(15-7-5-13(3)6-8-15)16(10-19(22)24)14(4)23-18/h5-8,12H,9-11,21H2,1-4H3,(H2,22,24)
InChIKeyPQOCYIZMORDNCV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.05
Rot. Bonds6

About 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide

2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide (PubChem CID 69450880) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide
PubChem CID69450880
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide
SMILESCc1ccc(-c2c(CC(N)=O)c(C)nc(CC(C)C)c2CN)cc1
InChIInChI=1S/C20H27N3O/c1-12(2)9-18-17(11-21)20(15-7-5-13(3)6-8-15)16(10-19(22)24)14(4)23-18/h5-8,12H,9-11,21H2,1-4H3,(H2,22,24)
InChIKeyPQOCYIZMORDNCV-UHFFFAOYSA-N
XLogP3.05
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-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 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide (CID 69450880) is 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide is Cc1ccc(-c2c(CC(N)=O)c(C)nc(CC(C)C)c2CN)cc1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide?
The InChIKey is PQOCYIZMORDNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-12(2)9-18-17(11-21)20(15-7-5-13(3)6-8-15)16(10-19(22)24)14(4)23-18/h5-8,12H,9-11,21H2,1-4H3,(H2,22,24).
What are the key properties of 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide?
2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 69450880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).