5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid

C21H28N2O2 — CID 69442860

IUPAC5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C21H28N2O2/c1-5-6-17-20(21(24)25)19(15-9-7-14(4)8-10-15)16(12-22)18(23-17)11-13(2)3/h7-10,13H,5-6,11-12,22H2,1-4H3,(H,24,25)
InChIKeyOQWADZKFOFUDGM-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.36
Rot. Bonds7

About 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid

5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid (PubChem CID 69442860) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid
PubChem CID69442860
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C21H28N2O2/c1-5-6-17-20(21(24)25)19(15-9-7-14(4)8-10-15)16(12-22)18(23-17)11-13(2)3/h7-10,13H,5-6,11-12,22H2,1-4H3,(H,24,25)
InChIKeyOQWADZKFOFUDGM-UHFFFAOYSA-N
XLogP4.36
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-benzyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid
CID 69442717
5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid
CID 69447085
5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051129
5-(aminomethyl)-4-(4-chlorophenyl)-6-(2-methylpropyl)-2-propan-2-ylpyridine-3-carboxylic acid;dihydrochloride
CID 69447430
[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-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide
CID 141114937
3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,1-dimethylurea
CID 69446296
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
CID 91246603
5-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]pyrazine-2-carboxylic acid;dihydrochloride
CID 69445343
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide
CID 69444575
2-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]furan-3-carboxylic acid;dihydrochloride
CID 69447127
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-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid (CID 69442860) is 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid is CCCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1C(=O)O.
What is the InChIKey of 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid?
The InChIKey is OQWADZKFOFUDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-6-17-20(21(24)25)19(15-9-7-14(4)8-10-15)16(12-22)18(23-17)11-13(2)3/h7-10,13H,5-6,11-12,22H2,1-4H3,(H,24,25).
What are the key properties of 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid?
5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid has a molecular weight of 340.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 69442860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).