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

C10H10N4O3 — CID 106400564

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1nc(CNc2ccncc2C(=O)O)no1
InChIInChI=1S/C10H10N4O3/c1-6-13-9(14-17-6)5-12-8-2-3-11-4-7(8)10(15)16/h2-4H,5H2,1H3,(H,11,12)(H,15,16)
InChIKeySJCWLEVJVGSHCE-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.08
Rot. Bonds4

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

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 106400564) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID106400564
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1nc(CNc2ccncc2C(=O)O)no1
InChIInChI=1S/C10H10N4O3/c1-6-13-9(14-17-6)5-12-8-2-3-11-4-7(8)10(15)16/h2-4H,5H2,1H3,(H,11,12)(H,15,16)
InChIKeySJCWLEVJVGSHCE-UHFFFAOYSA-N
XLogP1.08
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106407259
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 106408256
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 103714838
3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106400559
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-nitrobenzoic acid
CID 106400542
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazine-2-carboxylic acid
CID 106409530
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-(trifluoromethyl)benzoic acid
CID 106409510
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106409489
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244300
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid (CID 106400564) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid is Cc1nc(CNc2ccncc2C(=O)O)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is SJCWLEVJVGSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-13-9(14-17-6)5-12-8-2-3-11-4-7(8)10(15)16/h2-4H,5H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106400564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).