6-(4-butylanilino)pyridine-3-carboxylic acid

C16H18N2O2 — CID 43378526

IUPAC6-(4-butylanilino)pyridine-3-carboxylic acid
SMILESCCCCc1ccc(Nc2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-3-4-12-5-8-14(9-6-12)18-15-10-7-13(11-17-15)16(19)20/h5-11H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyQMGOQXLLFFVMIZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.87
Rot. Bonds6

About 6-(4-butylanilino)pyridine-3-carboxylic acid

6-(4-butylanilino)pyridine-3-carboxylic acid (PubChem CID 43378526) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-(4-butylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-butylanilino)pyridine-3-carboxylic acid
PubChem CID43378526
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-(4-butylanilino)pyridine-3-carboxylic acid
SMILESCCCCc1ccc(Nc2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-3-4-12-5-8-14(9-6-12)18-15-10-7-13(11-17-15)16(19)20/h5-11H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyQMGOQXLLFFVMIZ-UHFFFAOYSA-N
XLogP3.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylanilino)pyridine-4-carboxylic acid
CID 43244051
N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
CID 110178545
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid
CID 12862390
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267894
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-butylanilino)pyridine-3-carboxylic acid (CID 43378526) is 6-(4-butylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-butylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-butylanilino)pyridine-3-carboxylic acid is CCCCc1ccc(Nc2ccc(C(=O)O)cn2)cc1.
What is the InChIKey of 6-(4-butylanilino)pyridine-3-carboxylic acid?
The InChIKey is QMGOQXLLFFVMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-4-12-5-8-14(9-6-12)18-15-10-7-13(11-17-15)16(19)20/h5-11H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-(4-butylanilino)pyridine-3-carboxylic acid?
6-(4-butylanilino)pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 43378526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).