6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid

C15H20N4O2 — CID 106904990

IUPAC6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(C)n(CCCNCc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C15H20N4O2/c1-11-9-12(2)19(18-11)8-4-7-16-10-13-5-3-6-14(17-13)15(20)21/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCTEXLXTYCMTKRK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.77
Rot. Bonds7

About 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid

6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904990) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904990
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(C)n(CCCNCc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C15H20N4O2/c1-11-9-12(2)19(18-11)8-4-7-16-10-13-5-3-6-14(17-13)15(20)21/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCTEXLXTYCMTKRK-UHFFFAOYSA-N
XLogP1.77
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]furan-2-carboxylic acid
CID 114536261
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
3-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-1-amine
CID 115573483
N-[(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78804287
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-2-carboxylic acid
CID 114537284
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 78809935
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114539271
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid (CID 106904990) is 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid is Cc1cc(C)n(CCCNCc2cccc(C(=O)O)n2)n1.
What is the InChIKey of 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is CTEXLXTYCMTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-9-12(2)19(18-11)8-4-7-16-10-13-5-3-6-14(17-13)15(20)21/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid?
6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).