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

C12H12N4O4 — CID 61319613

IUPAC6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid
SMILESCc1noc(CCC(=O)Nc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H12N4O4/c1-7-14-11(20-16-7)5-4-10(17)15-9-3-2-8(6-13-9)12(18)19/h2-3,6H,4-5H2,1H3,(H,18,19)(H,13,15,17)
InChIKeyDLYPBVHAZYPGPF-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.04
Rot. Bonds5

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

6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid (PubChem CID 61319613) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid
PubChem CID61319613
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid
SMILESCc1noc(CCC(=O)Nc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H12N4O4/c1-7-14-11(20-16-7)5-4-10(17)15-9-3-2-8(6-13-9)12(18)19/h2-3,6H,4-5H2,1H3,(H,18,19)(H,13,15,17)
InChIKeyDLYPBVHAZYPGPF-UHFFFAOYSA-N
XLogP1.04
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280
4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
2-hydroxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 104832953
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]-5-methylsulfonylbenzoic acid
CID 119257644
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]benzoic acid
CID 104698150
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzoic acid
CID 114185805
N-(2-fluoro-4-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917581
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917572
2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid
CID 119231317

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid (CID 61319613) is 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid is Cc1noc(CCC(=O)Nc2ccc(C(=O)O)cn2)n1.
What is the InChIKey of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid?
The InChIKey is DLYPBVHAZYPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-14-11(20-16-7)5-4-10(17)15-9-3-2-8(6-13-9)12(18)19/h2-3,6H,4-5H2,1H3,(H,18,19)(H,13,15,17).
What are the key properties of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid?
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61319613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).