5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid

C19H24N2O3 — CID 69447085

IUPAC5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)O)cc1
InChIInChI=1S/C19H24N2O3/c1-11(2)9-16-15(10-20)18(17(19(22)23)12(3)21-16)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)
InChIKeyVQLBQTJTWUXNQU-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.42
Rot. Bonds6

About 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid

5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid (PubChem CID 69447085) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid
PubChem CID69447085
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)O)cc1
InChIInChI=1S/C19H24N2O3/c1-11(2)9-16-15(10-20)18(17(19(22)23)12(3)21-16)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)
InChIKeyVQLBQTJTWUXNQU-UHFFFAOYSA-N
XLogP3.42
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-4-(4-ethylphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carbonyl] 5-(aminomethyl)-4-(4-ethylphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate
CID 87886413
5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid
CID 69442860
4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]-2-methoxybenzoic acid
CID 69447188
4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]-3-methoxybenzoic acid
CID 69443266
5-(aminomethyl)-2-benzyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid
CID 69442717
3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,1-dimethylurea
CID 69446296
5-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]pyrazine-2-carboxylic acid;dihydrochloride
CID 69445343
5-(aminomethyl)-4-(4-chlorophenyl)-6-(2-methylpropyl)-2-propan-2-ylpyridine-3-carboxylic acid;dihydrochloride
CID 69447430
2-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]furan-3-carboxylic acid;dihydrochloride
CID 69447127
[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
CID 174512378
5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051129
ethyl 2-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]-1,3-thiazole-4-carboxylate
CID 69443684

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid (CID 69447085) is 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid is COc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)O)cc1.
What is the InChIKey of 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid?
The InChIKey is VQLBQTJTWUXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11(2)9-16-15(10-20)18(17(19(22)23)12(3)21-16)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10,20H2,1-4H3,(H,22,23).
What are the key properties of 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid?
5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 69447085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).