1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C8H7N3O — CID 23515094

IUPAC1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C8H7N3O/c9-7(12)5-1-3-10-8-6(5)2-4-11-8/h1-4H,(H2,9,12)(H,10,11)
InChIKeyJLNLMSPUHPBAFQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.66
Rot. Bonds1

About 1H-pyrrolo[2,3-b]pyridine-4-carboxamide

1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 23515094) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID23515094
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C8H7N3O/c9-7(12)5-1-3-10-8-6(5)2-4-11-8/h1-4H,(H2,9,12)(H,10,11)
InChIKeyJLNLMSPUHPBAFQ-UHFFFAOYSA-N
XLogP0.66
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-3-methyl-1-oxobutan-2-yl) 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 167944891
N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 20784555
N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166321044
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603219
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 167824179
N-[(4-methylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166270354
N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166268739
N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166336925
[2-amino-1-(3-bromophenyl)-2-oxoethyl] 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 167760334
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
(2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 167959993

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 23515094) is 1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridine-4-carboxamide is NC(=O)c1ccnc2[nH]ccc12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is JLNLMSPUHPBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-7(12)5-1-3-10-8-6(5)2-4-11-8/h1-4H,(H2,9,12)(H,10,11).
What are the key properties of 1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 23515094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).