4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid

C16H24N2O3 — CID 107817694

IUPAC4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)CCCCCCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)7-5-3-4-6-9-18-15(19)13-8-10-17-14(11-13)16(20)21/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQIGBFSYMKKFLPK-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.12
Rot. Bonds9

About 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid

4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 107817694) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID107817694
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)CCCCCCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)7-5-3-4-6-9-18-15(19)13-8-10-17-14(11-13)16(20)21/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQIGBFSYMKKFLPK-UHFFFAOYSA-N
XLogP3.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818117
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
CID 106041493
2-hydrazinyl-N-(5-methylhexyl)pyridine-4-carboxamide
CID 115327351
4-(3-methylsulfinylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 115730367
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 113385015
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
4-(2-tert-butylsulfinylethylcarbamoyl)pyridine-2-carboxylic acid
CID 119185141
4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
CID 103790246
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid (CID 107817694) is 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid is CC(C)CCCCCCNC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is QIGBFSYMKKFLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)7-5-3-4-6-9-18-15(19)13-8-10-17-14(11-13)16(20)21/h8,10-12H,3-7,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid?
4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 107817694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).