6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide

C15H14BrN3O2 — CID 104703479

IUPAC6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2cc(Br)cc3c2OCC3)cn1
InChIInChI=1S/C15H14BrN3O2/c16-12-5-9-3-4-21-14(9)11(6-12)8-19-15(20)10-1-2-13(17)18-7-10/h1-2,5-7H,3-4,8H2,(H2,17,18)(H,19,20)
InChIKeyOBCBLVIINUSOLT-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.29
Rot. Bonds3

About 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide

6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide (PubChem CID 104703479) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide
PubChem CID104703479
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2cc(Br)cc3c2OCC3)cn1
InChIInChI=1S/C15H14BrN3O2/c16-12-5-9-3-4-21-14(9)11(6-12)8-19-15(20)10-1-2-13(17)18-7-10/h1-2,5-7H,3-4,8H2,(H2,17,18)(H,19,20)
InChIKeyOBCBLVIINUSOLT-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]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

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-hydroxybenzamide
CID 104702882
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloropyridine-2-carboxamide
CID 104702838
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
CID 104702853
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide
CID 104702761
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
CID 104773207
3-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-2-carboxamide
CID 104701971
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-chloropyridine-4-carboxamide
CID 104702780
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylpyridine-3-carboxamide
CID 104702776
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
CID 104702827
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104702888
2-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrimidine-2,5-diamine
CID 104702051
(3Z)-3-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104703268

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide (CID 104703479) is 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCc2cc(Br)cc3c2OCC3)cn1.
What is the InChIKey of 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OBCBLVIINUSOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-12-5-9-3-4-21-14(9)11(6-12)8-19-15(20)10-1-2-13(17)18-7-10/h1-2,5-7H,3-4,8H2,(H2,17,18)(H,19,20).
What are the key properties of 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide?
6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 104703479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).