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

C11H12N4O3 — CID 106409642

IUPAC4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1ccnc(NCCc2ncno2)c1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-7-2-4-12-10(9(7)11(16)17)13-5-3-8-14-6-15-18-8/h2,4,6H,3,5H2,1H3,(H,12,13)(H,16,17)
InChIKeyZTAXEQRUQDUDTN-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.13
Rot. Bonds5

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

4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 106409642) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID106409642
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1ccnc(NCCc2ncno2)c1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-7-2-4-12-10(9(7)11(16)17)13-5-3-8-14-6-15-18-8/h2,4,6H,3,5H2,1H3,(H,12,13)(H,16,17)
InChIKeyZTAXEQRUQDUDTN-UHFFFAOYSA-N
XLogP1.13
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 106400845
4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
CID 115327372
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methylpyridine-3-carboxylic acid
CID 114163853
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
CID 103744317

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid (CID 106409642) is 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid is Cc1ccnc(NCCc2ncno2)c1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is ZTAXEQRUQDUDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-2-4-12-10(9(7)11(16)17)13-5-3-8-14-6-15-18-8/h2,4,6H,3,5H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106409642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).