pyrrolo[3,2-b]pyridine-1-carboxamide

C8H7N3O — CID 89303380

IUPACpyrrolo[3,2-b]pyridine-1-carboxamide
SMILESNC(=O)n1ccc2ncccc21
InChIInChI=1S/C8H7N3O/c9-8(12)11-5-3-6-7(11)2-1-4-10-6/h1-5H,(H2,9,12)
InChIKeyJTQKWGZNQLLTGR-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.96
Rot. Bonds

About pyrrolo[3,2-b]pyridine-1-carboxamide

pyrrolo[3,2-b]pyridine-1-carboxamide (PubChem CID 89303380) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is pyrrolo[3,2-b]pyridine-1-carboxamide.

Molecular Properties

Compound Namepyrrolo[3,2-b]pyridine-1-carboxamide
PubChem CID89303380
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Namepyrrolo[3,2-b]pyridine-1-carboxamide
SMILESNC(=O)n1ccc2ncccc21
InChIInChI=1S/C8H7N3O/c9-8(12)11-5-3-6-7(11)2-1-4-10-6/h1-5H,(H2,9,12)
InChIKeyJTQKWGZNQLLTGR-UHFFFAOYSA-N
XLogP0.96
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolo[3,2-b]pyridin-1-amine
CID 19601545
1-hydroxypyrrolo[3,2-b]pyridine
CID 22988006
1-iodopyrrolo[3,2-b]pyridine
CID 70894838
5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide
CID 68556730
tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
CID 135080166
1-phenylpyrrolo[3,2-b]pyridine-2-carboxamide
CID 151105534
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198
1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine
CID 67836444
1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
CID 139615824
pyrrolo[2,3-b]pyrazine-1-carboxamide
CID 174673167
1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine
CID 139631683
bromomethyl benzimidazole-1-carboxylate
CID 135347541

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-b]pyridine-1-carboxamide?
The IUPAC name of pyrrolo[3,2-b]pyridine-1-carboxamide (CID 89303380) is pyrrolo[3,2-b]pyridine-1-carboxamide.
What is the SMILES notation for pyrrolo[3,2-b]pyridine-1-carboxamide?
The canonical SMILES for pyrrolo[3,2-b]pyridine-1-carboxamide is NC(=O)n1ccc2ncccc21.
What is the InChIKey of pyrrolo[3,2-b]pyridine-1-carboxamide?
The InChIKey is JTQKWGZNQLLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8(12)11-5-3-6-7(11)2-1-4-10-6/h1-5H,(H2,9,12).
What are the key properties of pyrrolo[3,2-b]pyridine-1-carboxamide?
pyrrolo[3,2-b]pyridine-1-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-b]pyridine-1-carboxamide is sourced from PubChem (CID 89303380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).