3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide

C16H13N3O2 — CID 25106949

IUPAC3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(N)c(-c3ccoc3)c2)c1
InChIInChI=1S/C16H13N3O2/c17-15-14(12-4-5-21-9-12)7-13(8-19-15)10-2-1-3-11(6-10)16(18)20/h1-9H,(H2,17,19)(H2,18,20)
InChIKeyQSBFWSUHIUMHLE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.69
Rot. Bonds3

About 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide

3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide (PubChem CID 25106949) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide
PubChem CID25106949
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(N)c(-c3ccoc3)c2)c1
InChIInChI=1S/C16H13N3O2/c17-15-14(12-4-5-21-9-12)7-13(8-19-15)10-2-1-3-11(6-10)16(18)20/h1-9H,(H2,17,19)(H2,18,20)
InChIKeyQSBFWSUHIUMHLE-UHFFFAOYSA-N
XLogP2.69
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide (CID 25106949) is 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2cnc(N)c(-c3ccoc3)c2)c1.
What is the InChIKey of 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide?
The InChIKey is QSBFWSUHIUMHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-15-14(12-4-5-21-9-12)7-13(8-19-15)10-2-1-3-11(6-10)16(18)20/h1-9H,(H2,17,19)(H2,18,20).
What are the key properties of 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide?
3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 25106949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).