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

C11H10N4O4 — CID 103790332

IUPAC6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1nc(CNC(=O)c2cccc(C(=O)O)n2)no1
InChIInChI=1S/C11H10N4O4/c1-6-13-9(15-19-6)5-12-10(16)7-3-2-4-8(14-7)11(17)18/h2-4H,5H2,1H3,(H,12,16)(H,17,18)
InChIKeyCQBVKEUKFXOATB-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.40
Rot. Bonds4

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

6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 103790332) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID103790332
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1nc(CNC(=O)c2cccc(C(=O)O)n2)no1
InChIInChI=1S/C11H10N4O4/c1-6-13-9(15-19-6)5-12-10(16)7-3-2-4-8(14-7)11(17)18/h2-4H,5H2,1H3,(H,12,16)(H,17,18)
InChIKeyCQBVKEUKFXOATB-UHFFFAOYSA-N
XLogP0.40
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
2-amino-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114183521
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409201
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
2-(2-aminoethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106396658
3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylic acid
CID 106406057
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 106396533

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 103790332) is 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid is Cc1nc(CNC(=O)c2cccc(C(=O)O)n2)no1.
What is the InChIKey of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CQBVKEUKFXOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-6-13-9(15-19-6)5-12-10(16)7-3-2-4-8(14-7)11(17)18/h2-4H,5H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103790332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).