N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C8H8N4O — CID 154303266

IUPACN-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILES[H]/N=N/C(=O)C1=CNc2[nH]ccc2C1
InChIInChI=1S/C8H8N4O/c9-12-8(13)6-3-5-1-2-10-7(5)11-4-6/h1-2,4,9-11H,3H2/b12-9+
InChIKeyQCAYQPXLKRVVGP-FMIVXFBMSA-N
MW176.18 g/mol
LogP1.42
Rot. Bonds1

About N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 154303266) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID154303266
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILES[H]/N=N/C(=O)C1=CNc2[nH]ccc2C1
InChIInChI=1S/C8H8N4O/c9-12-8(13)6-3-5-1-2-10-7(5)11-4-6/h1-2,4,9-11H,3H2/b12-9+
InChIKeyQCAYQPXLKRVVGP-FMIVXFBMSA-N
XLogP1.42
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 154303266) is N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is [H]/N=N/C(=O)C1=CNc2[nH]ccc2C1.
What is the InChIKey of N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is QCAYQPXLKRVVGP-FMIVXFBMSA-N. The full InChI is InChI=1S/C8H8N4O/c9-12-8(13)6-3-5-1-2-10-7(5)11-4-6/h1-2,4,9-11H,3H2/b12-9+.
What are the key properties of N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 176.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 154303266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).