2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide

C13H10BrN3O2 — CID 91961363

IUPAC2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2oc(Br)cc2[nH]1
InChIInChI=1S/C13H10BrN3O2/c14-12-5-9-11(19-12)4-10(17-9)13(18)16-7-8-2-1-3-15-6-8/h1-6,17H,7H2,(H,16,18)
InChIKeyYUEQJPIYPOHYPV-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide

2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91961363) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91961363
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2oc(Br)cc2[nH]1
InChIInChI=1S/C13H10BrN3O2/c14-12-5-9-11(19-12)4-10(17-9)13(18)16-7-8-2-1-3-15-6-8/h1-6,17H,7H2,(H,16,18)
InChIKeyYUEQJPIYPOHYPV-UHFFFAOYSA-N
XLogP2.85
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-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

5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
4-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 4910202
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959003
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 166191085
2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 100787093

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 91961363) is 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide is O=C(NCc1cccnc1)c1cc2oc(Br)cc2[nH]1.
What is the InChIKey of 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YUEQJPIYPOHYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-12-5-9-11(19-12)4-10(17-9)13(18)16-7-8-2-1-3-15-6-8/h1-6,17H,7H2,(H,16,18).
What are the key properties of 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91961363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).