5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide

C16H17BrN2O2 — CID 710625

IUPAC5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C16H17BrN2O2/c17-14-10-9-13(21-14)16(20)19(12-6-2-1-3-7-12)15-8-4-5-11-18-15/h4-5,8-12H,1-3,6-7H2
InChIKeyNMAUUIUCAARPKO-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.42
Rot. Bonds3

About 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide

5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide (PubChem CID 710625) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide
PubChem CID710625
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C16H17BrN2O2/c17-14-10-9-13(21-14)16(20)19(12-6-2-1-3-7-12)15-8-4-5-11-18-15/h4-5,8-12H,1-3,6-7H2
InChIKeyNMAUUIUCAARPKO-UHFFFAOYSA-N
XLogP4.42
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide (CID 710625) is 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide is O=C(c1ccc(Br)o1)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide?
The InChIKey is NMAUUIUCAARPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-14-10-9-13(21-14)16(20)19(12-6-2-1-3-7-12)15-8-4-5-11-18-15/h4-5,8-12H,1-3,6-7H2.
What are the key properties of 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide?
5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-N-pyridin-2-ylfuran-2-carboxamide is sourced from PubChem (CID 710625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).