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

C19H26Cl2N2O2 — CID 51051131

IUPAC5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)O)cc1.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16;;/h5-8,11H,9-10,20H2,1-4H3,(H,22,23);2*1H
InChIKeyVUDWQIPOFOMFFQ-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.56
Rot. Bonds5

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

5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride (PubChem CID 51051131) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride
PubChem CID51051131
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)O)cc1.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16;;/h5-8,11H,9-10,20H2,1-4H3,(H,22,23);2*1H
InChIKeyVUDWQIPOFOMFFQ-UHFFFAOYSA-N
XLogP4.56
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
5-(Aminomethyl)-2-Methyl-4-(4-Methylphenyl)-6-(2-Methylpropyl)pyridine-3-Carboxic Acid
CID 11220682
3-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]propanoic acid;dihydrochloride
CID 51050450
5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride
CID 51051127
5-(Aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051129
5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-neopentylnicotinic acid dihydrochloride
CID 51051132
5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051134
5-(Aminomethyl)-6-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-propylpyridine-3-carboxylic acid;dihydrochloride
CID 51051136
5-(Aminomethyl)-6-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-propan-2-ylpyridine-3-carboxylic acid;dihydrochloride
CID 51051236
5-(Aminomethyl)-6-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051238
5-(Aminomethyl)-2-benzyl-6-(2,2-dimethylpropyl)-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051240
2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetic acid;dihydrochloride
CID 51051329

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride (CID 51051131) is 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride is Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)O)cc1.Cl.Cl.
What is the InChIKey of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is VUDWQIPOFOMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.2ClH/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16;;/h5-8,11H,9-10,20H2,1-4H3,(H,22,23);2*1H.
What are the key properties of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride?
5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 51051131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).