2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide

C15H14BrN3O2 — CID 62232676

IUPAC2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H14BrN3O2/c16-10-6-12(14(17)18-7-10)15(20)19-8-11-5-9-3-1-2-4-13(9)21-11/h1-4,6-7,11H,5,8H2,(H2,17,18)(H,19,20)
InChIKeyGGQNWMIDPMFDEK-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 62232676) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
PubChem CID62232676
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H14BrN3O2/c16-10-6-12(14(17)18-7-10)15(20)19-8-11-5-9-3-1-2-4-13(9)21-11/h1-4,6-7,11H,5,8H2,(H2,17,18)(H,19,20)
InChIKeyGGQNWMIDPMFDEK-UHFFFAOYSA-N
XLogP2.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-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

3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 97065065
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 39237368
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 53499843

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide (CID 62232676) is 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GGQNWMIDPMFDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-6-12(14(17)18-7-10)15(20)19-8-11-5-9-3-1-2-4-13(9)21-11/h1-4,6-7,11H,5,8H2,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62232676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).