2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid

C13H16N4O3 — CID 106423238

IUPAC2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCc2noc(C)n2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H16N4O3/c1-7-6-10(12(13(18)19)8(2)15-7)14-5-4-11-16-9(3)20-17-11/h6H,4-5H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyHNAYXYZUTPJTRM-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.74
Rot. Bonds5

About 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid

2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 106423238) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID106423238
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCc2noc(C)n2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H16N4O3/c1-7-6-10(12(13(18)19)8(2)15-7)14-5-4-11-16-9(3)20-17-11/h6H,4-5H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyHNAYXYZUTPJTRM-UHFFFAOYSA-N
XLogP1.74
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide
CID 106418028
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106423241
2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81052352
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
CID 81051441
4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114171477

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid (CID 106423238) is 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid is Cc1cc(NCCc2noc(C)n2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is HNAYXYZUTPJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-6-10(12(13(18)19)8(2)15-7)14-5-4-11-16-9(3)20-17-11/h6H,4-5H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106423238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).