7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

C13H11N3O — CID 67435726

IUPAC7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
SMILESNC(=O)c1ccc2c(c1)=NC=C1CC=CN1C=2
InChIInChI=1S/C13H11N3O/c14-13(17)9-3-4-10-8-16-5-1-2-11(16)7-15-12(10)6-9/h1,3-8H,2H2,(H2,14,17)
InChIKeyDYCGERURMPDTQC-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.22
Rot. Bonds1

About 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide (PubChem CID 67435726) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
PubChem CID67435726
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
SMILESNC(=O)c1ccc2c(c1)=NC=C1CC=CN1C=2
InChIInChI=1S/C13H11N3O/c14-13(17)9-3-4-10-8-16-5-1-2-11(16)7-15-12(10)6-9/h1,3-8H,2H2,(H2,14,17)
InChIKeyDYCGERURMPDTQC-UHFFFAOYSA-N
XLogP0.22
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolo[2,1-c][1,4]benzodiazepine-3,11-dione
CID 155292870
(E)-3-(7H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
CID 20164041
3-(7H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
CID 53876184
9H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
CID 67435730
3-(1,4-Benzodiazepin-4-yl)propanamide
CID 67695544
1H-pyrrolo[1,2-a]azepine-8-carboxamide
CID 68851637
7H-pyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide
CID 69156847
1-Benzazocine-5-carboxamide
CID 70007219
2H-1,4-benzodiazepine-8-carboxamide
CID 90822820
2H-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 123210452
(4-Ethanimidoylcyclohepta-1,4,6-triene-1-carbonyl)-ethenyl-methylideneazanium
CID 123996305
2H-pyrrolo[3,4-b][1,5]benzodiazepin-3-one
CID 136343052

Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide (CID 67435726) is 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide is NC(=O)c1ccc2c(c1)=NC=C1CC=CN1C=2.
What is the InChIKey of 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide?
The InChIKey is DYCGERURMPDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-13(17)9-3-4-10-8-16-5-1-2-11(16)7-15-12(10)6-9/h1,3-8H,2H2,(H2,14,17).
What are the key properties of 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide?
7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 67435726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).