2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide

C17H14BrN3O2 — CID 113011315

IUPAC2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nc1)c1ccccc1Br
InChIInChI=1S/C17H14BrN3O2/c18-15-6-2-1-5-14(15)17(22)21-12-7-8-16(19-10-12)20-11-13-4-3-9-23-13/h1-10H,11H2,(H,19,20)(H,21,22)
InChIKeySUIXOGBECLJOET-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.30
Rot. Bonds5

About 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide

2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide (PubChem CID 113011315) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
PubChem CID113011315
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nc1)c1ccccc1Br
InChIInChI=1S/C17H14BrN3O2/c18-15-6-2-1-5-14(15)17(22)21-12-7-8-16(19-10-12)20-11-13-4-3-9-23-13/h1-10H,11H2,(H,19,20)(H,21,22)
InChIKeySUIXOGBECLJOET-UHFFFAOYSA-N
XLogP4.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040647
2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011352
3-amino-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 39179353
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
CID 113011360
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308
N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117446
N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
CID 112981783
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide (CID 113011315) is 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(NCc2ccco2)nc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
The InChIKey is SUIXOGBECLJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-15-6-2-1-5-14(15)17(22)21-12-7-8-16(19-10-12)20-11-13-4-3-9-23-13/h1-10H,11H2,(H,19,20)(H,21,22).
What are the key properties of 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide has a molecular weight of 372.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113011315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).