N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

C13H15N5O — CID 56909791

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1nnc(CN(C)c2ccc3cc[nH]c3n2)o1
InChIInChI=1S/C13H15N5O/c1-3-11-16-17-12(19-11)8-18(2)10-5-4-9-6-7-14-13(9)15-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyYGHXTSDIJFARKZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.14
Rot. Bonds4

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56909791) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56909791
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1nnc(CN(C)c2ccc3cc[nH]c3n2)o1
InChIInChI=1S/C13H15N5O/c1-3-11-16-17-12(19-11)8-18(2)10-5-4-9-6-7-14-13(9)15-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyYGHXTSDIJFARKZ-UHFFFAOYSA-N
XLogP2.14
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56909791) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is CCc1nnc(CN(C)c2ccc3cc[nH]c3n2)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is YGHXTSDIJFARKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-11-16-17-12(19-11)8-18(2)10-5-4-9-6-7-14-13(9)15-10/h4-7H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 257.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56909791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).