5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride

C19H26Cl2N2O2 — CID 51051129

IUPAC5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCCCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-4-5-6-16-15(11-20)18(14-9-7-12(2)8-10-14)17(19(22)23)13(3)21-16;;/h7-10H,4-6,11,20H2,1-3H3,(H,22,23);2*1H
InChIKeyMSCBXALZPYLGOC-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.71
Rot. Bonds6

About 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride

5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride (PubChem CID 51051129) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
PubChem CID51051129
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCCCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-4-5-6-16-15(11-20)18(14-9-7-12(2)8-10-14)17(19(22)23)13(3)21-16;;/h7-10H,4-6,11,20H2,1-3H3,(H,22,23);2*1H
InChIKeyMSCBXALZPYLGOC-UHFFFAOYSA-N
XLogP4.71
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride 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 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride (CID 51051129) is 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride is CCCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl.
What is the InChIKey of 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is MSCBXALZPYLGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.2ClH/c1-4-5-6-16-15(11-20)18(14-9-7-12(2)8-10-14)17(19(22)23)13(3)21-16;;/h7-10H,4-6,11,20H2,1-3H3,(H,22,23);2*1H.
What are the key properties of 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride?
5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 51051129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).