5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide

C24H34N2O — CID 141114937

IUPAC5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCCCCCc1c(CC(C)C)nc(C)c(C(N)=O)c1-c1ccc(C)cc1
InChIInChI=1S/C24H34N2O/c1-6-7-8-9-10-20-21(15-16(2)3)26-18(5)22(24(25)27)23(20)19-13-11-17(4)12-14-19/h11-14,16H,6-10,15H2,1-5H3,(H2,25,27)
InChIKeyUMIVDOUDDGFASM-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.79
Rot. Bonds9

About 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide

5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 141114937) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID141114937
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCCCCCc1c(CC(C)C)nc(C)c(C(N)=O)c1-c1ccc(C)cc1
InChIInChI=1S/C24H34N2O/c1-6-7-8-9-10-20-21(15-16(2)3)26-18(5)22(24(25)27)23(20)19-13-11-17(4)12-14-19/h11-14,16H,6-10,15H2,1-5H3,(H2,25,27)
InChIKeyUMIVDOUDDGFASM-UHFFFAOYSA-N
XLogP5.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid
CID 69442860
5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051129
[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-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid
CID 69447085
3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,1-dimethylurea
CID 69446296
5-(aminomethyl)-2-benzyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid
CID 69442717
ethyl 2-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]-1,3-thiazole-4-carboxylate
CID 69443684
2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
CID 4992439
[5-[(3-amino-3-oxopropyl)carbamoyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl-tert-butylcarbamic acid
CID 69449725
5-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]pyrazine-2-carboxylic acid;dihydrochloride
CID 69445343
2-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxymethyl]furan-3-carboxylic acid;dihydrochloride
CID 69447127
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide (CID 141114937) is 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide is CCCCCCc1c(CC(C)C)nc(C)c(C(N)=O)c1-c1ccc(C)cc1.
What is the InChIKey of 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is UMIVDOUDDGFASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-6-7-8-9-10-20-21(15-16(2)3)26-18(5)22(24(25)27)23(20)19-13-11-17(4)12-14-19/h11-14,16H,6-10,15H2,1-5H3,(H2,25,27).
What are the key properties of 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide?
5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 141114937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).