3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

C9H9N5O2 — CID 105071356

IUPAC3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccncc2N)o1
InChIInChI=1S/C9H9N5O2/c1-5-13-14-9(16-5)12-8(15)6-2-3-11-4-7(6)10/h2-4H,10H2,1H3,(H,12,14,15)
InChIKeyNKWYVCZKEUWSIB-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.61
Rot. Bonds2

About 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 105071356) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
PubChem CID105071356
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccncc2N)o1
InChIInChI=1S/C9H9N5O2/c1-5-13-14-9(16-5)12-8(15)6-2-3-11-4-7(6)10/h2-4H,10H2,1H3,(H,12,14,15)
InChIKeyNKWYVCZKEUWSIB-UHFFFAOYSA-N
XLogP0.61
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (CID 105071356) is 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is Cc1nnc(NC(=O)c2ccncc2N)o1.
What is the InChIKey of 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is NKWYVCZKEUWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-5-13-14-9(16-5)12-8(15)6-2-3-11-4-7(6)10/h2-4H,10H2,1H3,(H,12,14,15).
What are the key properties of 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 219.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105071356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).