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

C22H31N3O — CID 69445511

IUPAC2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide
SMILESCCCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(N)=O
InChIInChI=1S/C22H31N3O/c1-5-6-19-17(12-21(24)26)22(16-9-7-15(4)8-10-16)18(13-23)20(25-19)11-14(2)3/h7-10,14H,5-6,11-13,23H2,1-4H3,(H2,24,26)
InChIKeyGUJULSDDFQCKCO-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.69
Rot. Bonds8

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

2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide (PubChem CID 69445511) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide
PubChem CID69445511
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide
SMILESCCCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(N)=O
InChIInChI=1S/C22H31N3O/c1-5-6-19-17(12-21(24)26)22(16-9-7-15(4)8-10-16)18(13-23)20(25-19)11-14(2)3/h7-10,14H,5-6,11-13,23H2,1-4H3,(H2,24,26)
InChIKeyGUJULSDDFQCKCO-UHFFFAOYSA-N
XLogP3.69
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-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)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide?
The IUPAC name of 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide (CID 69445511) is 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide is CCCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(N)=O.
What is the InChIKey of 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide?
The InChIKey is GUJULSDDFQCKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-6-19-17(12-21(24)26)22(16-9-7-15(4)8-10-16)18(13-23)20(25-19)11-14(2)3/h7-10,14H,5-6,11-13,23H2,1-4H3,(H2,24,26).
What are the key properties of 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide?
2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propyl-3-pyridinyl]acetamide is sourced from PubChem (CID 69445511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).