4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide

C13H19N5O2 — CID 106413341

IUPAC4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCc1nc(C)no1
InChIInChI=1S/C13H19N5O2/c1-3-6-18-8-10(14)7-11(18)13(19)15-5-4-12-16-9(2)17-20-12/h7-8H,3-6,14H2,1-2H3,(H,15,19)
InChIKeyZVEKOCNYJBDYAO-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.14
Rot. Bonds6

About 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 106413341) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID106413341
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCc1nc(C)no1
InChIInChI=1S/C13H19N5O2/c1-3-6-18-8-10(14)7-11(18)13(19)15-5-4-12-16-9(2)17-20-12/h7-8H,3-6,14H2,1-2H3,(H,15,19)
InChIKeyZVEKOCNYJBDYAO-UHFFFAOYSA-N
XLogP1.14
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 106413314
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106391701
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 54903625
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 106368803
4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 63238946
4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 114182801
4-amino-1,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 106413397
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide (CID 106413341) is 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCCc1nc(C)no1.
What is the InChIKey of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is ZVEKOCNYJBDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-6-18-8-10(14)7-11(18)13(19)15-5-4-12-16-9(2)17-20-12/h7-8H,3-6,14H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106413341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).