4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid

C11H12N2O2 — CID 81244685

IUPAC4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
SMILESC#CCCNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-3-4-5-12-10-6-8(2)13-7-9(10)11(14)15/h1,6-7H,4-5H2,2H3,(H,12,13)(H,14,15)
InChIKeyYTOCOCKVRJFHEJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.52
Rot. Bonds4

About 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid

4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81244685) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID81244685
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
SMILESC#CCCNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-3-4-5-12-10-6-8(2)13-7-9(10)11(14)15/h1,6-7H,4-5H2,2H3,(H,12,13)(H,14,15)
InChIKeyYTOCOCKVRJFHEJ-UHFFFAOYSA-N
XLogP1.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81244294
6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244674
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid (CID 81244685) is 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid is C#CCCNc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is YTOCOCKVRJFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-4-5-12-10-6-8(2)13-7-9(10)11(14)15/h1,6-7H,4-5H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid?
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).