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

C10H11N3O2 — CID 86810517

IUPACN-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOCNC(=O)c1cnc2[nH]ccc2c1
InChIInChI=1S/C10H11N3O2/c1-15-6-13-10(14)8-4-7-2-3-11-9(7)12-5-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyBEMLTIMHJFQVJF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.90
Rot. Bonds3

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

N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 86810517) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID86810517
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOCNC(=O)c1cnc2[nH]ccc2c1
InChIInChI=1S/C10H11N3O2/c1-15-6-13-10(14)8-4-7-2-3-11-9(7)12-5-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyBEMLTIMHJFQVJF-UHFFFAOYSA-N
XLogP0.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 86810517) is N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is COCNC(=O)c1cnc2[nH]ccc2c1.
What is the InChIKey of N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is BEMLTIMHJFQVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-6-13-10(14)8-4-7-2-3-11-9(7)12-5-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 86810517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).