3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide

C11H13N5O2 — CID 106408858

IUPAC3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H13N5O2/c1-12-9-6-13-4-2-8(9)11(17)14-5-3-10-15-7-16-18-10/h2,4,6-7,12H,3,5H2,1H3,(H,14,17)
InChIKeyVNIDQVYMIASDFW-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.48
Rot. Bonds5

About 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide

3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 106408858) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID106408858
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H13N5O2/c1-12-9-6-13-4-2-8(9)11(17)14-5-3-10-15-7-16-18-10/h2,4,6-7,12H,3,5H2,1H3,(H,14,17)
InChIKeyVNIDQVYMIASDFW-UHFFFAOYSA-N
XLogP0.48
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
6-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 106408662
4-chloro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103894105
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 105070790
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
N-[2-(ethylsulfamoyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
CID 106342578
2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 114184224

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide (CID 106408858) is 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide is CNc1cnccc1C(=O)NCCc1ncno1.
What is the InChIKey of 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is VNIDQVYMIASDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-12-9-6-13-4-2-8(9)11(17)14-5-3-10-15-7-16-18-10/h2,4,6-7,12H,3,5H2,1H3,(H,14,17).
What are the key properties of 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106408858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).