N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C13H13N7O2 — CID 167827735

IUPACN-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CCOC1)c1c[nH]c2ncccc12
InChIInChI=1S/C13H13N7O2/c21-11(9-6-15-10-8(9)2-1-4-14-10)16-13(3-5-22-7-13)12-17-19-20-18-12/h1-2,4,6H,3,5,7H2,(H,14,15)(H,16,21)(H,17,18,19,20)
InChIKeyYBODYACQLPAISS-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.12
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 167827735) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID167827735
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CCOC1)c1c[nH]c2ncccc12
InChIInChI=1S/C13H13N7O2/c21-11(9-6-15-10-8(9)2-1-4-14-10)16-13(3-5-22-7-13)12-17-19-20-18-12/h1-2,4,6H,3,5,7H2,(H,14,15)(H,16,21)(H,17,18,19,20)
InChIKeyYBODYACQLPAISS-UHFFFAOYSA-N
XLogP0.12
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 167827735) is N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NC1(c2nn[nH]n2)CCOC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YBODYACQLPAISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c21-11(9-6-15-10-8(9)2-1-4-14-10)16-13(3-5-22-7-13)12-17-19-20-18-12/h1-2,4,6H,3,5,7H2,(H,14,15)(H,16,21)(H,17,18,19,20).
What are the key properties of N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 167827735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).