6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid

C16H18N2O2 — CID 106904433

IUPAC6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
SMILESCC(C)c1cccc(NCc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)12-5-3-6-13(9-12)17-10-14-7-4-8-15(18-14)16(19)20/h3-9,11,17H,10H2,1-2H3,(H,19,20)
InChIKeyHVEIRYWABXWXCK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.52
Rot. Bonds5

About 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid

6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904433) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904433
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
SMILESCC(C)c1cccc(NCc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)12-5-3-6-13(9-12)17-10-14-7-4-8-15(18-14)16(19)20/h3-9,11,17H,10H2,1-2H3,(H,19,20)
InChIKeyHVEIRYWABXWXCK-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
CID 106904488
6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106905026
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
2-[(3-propan-2-ylanilino)methyl]furan-3-carboxylic acid
CID 103236549
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
1-[2-(3-propan-2-ylanilino)ethyl]triazole-4-carboxylic acid
CID 103236551
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608

Frequently Asked Questions

What is the IUPAC name of 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid (CID 106904433) is 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid is CC(C)c1cccc(NCc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is HVEIRYWABXWXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)12-5-3-6-13(9-12)17-10-14-7-4-8-15(18-14)16(19)20/h3-9,11,17H,10H2,1-2H3,(H,19,20).
What are the key properties of 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid?
6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).