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

C18H24Cl2N2O2 — CID 51051127

IUPAC5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride
SMILESCCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl
InChIInChI=1S/C18H22N2O2.2ClH/c1-4-5-15-14(10-19)17(13-8-6-11(2)7-9-13)16(18(21)22)12(3)20-15;;/h6-9H,4-5,10,19H2,1-3H3,(H,21,22);2*1H
InChIKeyFOZLHJBLKSLQRP-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.32
Rot. Bonds5

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

5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride (PubChem CID 51051127) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride
PubChem CID51051127
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride
SMILESCCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl
InChIInChI=1S/C18H22N2O2.2ClH/c1-4-5-15-14(10-19)17(13-8-6-11(2)7-9-13)16(18(21)22)12(3)20-15;;/h6-9H,4-5,10,19H2,1-3H3,(H,21,22);2*1H
InChIKeyFOZLHJBLKSLQRP-UHFFFAOYSA-N
XLogP4.32
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride (CID 51051127) is 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride is CCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl.
What is the InChIKey of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is FOZLHJBLKSLQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.2ClH/c1-4-5-15-14(10-19)17(13-8-6-11(2)7-9-13)16(18(21)22)12(3)20-15;;/h6-9H,4-5,10,19H2,1-3H3,(H,21,22);2*1H.
What are the key properties of 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride?
5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 4.32, 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-propylpyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 51051127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).