1H-1,5-benzodiazepine-3-carboxamide

C10H9N3O — CID 21326919

IUPAC1H-1,5-benzodiazepine-3-carboxamide
SMILESNC(=O)C1=CNc2ccccc2N=C1
InChIInChI=1S/C10H9N3O/c11-10(14)7-5-12-8-3-1-2-4-9(8)13-6-7/h1-6,12H,(H2,11,14)
InChIKeyJHAQJRGOQOGWNP-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.18
Rot. Bonds1

About 1H-1,5-benzodiazepine-3-carboxamide

1H-1,5-benzodiazepine-3-carboxamide (PubChem CID 21326919) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1H-1,5-benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name1H-1,5-benzodiazepine-3-carboxamide
PubChem CID21326919
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1H-1,5-benzodiazepine-3-carboxamide
SMILESNC(=O)C1=CNc2ccccc2N=C1
InChIInChI=1S/C10H9N3O/c11-10(14)7-5-12-8-3-1-2-4-9(8)13-6-7/h1-6,12H,(H2,11,14)
InChIKeyJHAQJRGOQOGWNP-UHFFFAOYSA-N
XLogP1.18
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-1,5-benzodiazepine-3-carboxamide?
The IUPAC name of 1H-1,5-benzodiazepine-3-carboxamide (CID 21326919) is 1H-1,5-benzodiazepine-3-carboxamide.
What is the SMILES notation for 1H-1,5-benzodiazepine-3-carboxamide?
The canonical SMILES for 1H-1,5-benzodiazepine-3-carboxamide is NC(=O)C1=CNc2ccccc2N=C1.
What is the InChIKey of 1H-1,5-benzodiazepine-3-carboxamide?
The InChIKey is JHAQJRGOQOGWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(14)7-5-12-8-3-1-2-4-9(8)13-6-7/h1-6,12H,(H2,11,14).
What are the key properties of 1H-1,5-benzodiazepine-3-carboxamide?
1H-1,5-benzodiazepine-3-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,5-benzodiazepine-3-carboxamide is sourced from PubChem (CID 21326919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).