5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C17H13BrN2O2 — CID 1324031

IUPAC5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H13BrN2O2/c18-14-5-3-13(4-6-14)15-7-8-16(22-15)17(21)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyNXLVQEAKNIODEC-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.03
Rot. Bonds4

About 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 1324031) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID1324031
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H13BrN2O2/c18-14-5-3-13(4-6-14)15-7-8-16(22-15)17(21)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyNXLVQEAKNIODEC-UHFFFAOYSA-N
XLogP4.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 1324031) is 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is NXLVQEAKNIODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-14-5-3-13(4-6-14)15-7-8-16(22-15)17(21)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,21).
What are the key properties of 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1324031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).