5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide

C13H13BrN2O2 — CID 6465967

IUPAC5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H13BrN2O2/c1-2-16(9-10-5-7-15-8-6-10)13(17)11-3-4-12(14)18-11/h3-8H,2,9H2,1H3
InChIKeyVIIURSCHUNFIGG-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.10
Rot. Bonds4

About 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide

5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide (PubChem CID 6465967) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
PubChem CID6465967
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H13BrN2O2/c1-2-16(9-10-5-7-15-8-6-10)13(17)11-3-4-12(14)18-11/h3-8H,2,9H2,1H3
InChIKeyVIIURSCHUNFIGG-UHFFFAOYSA-N
XLogP3.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 903714
CID 903714
CID 6468617
CID 6468617
CID 2352626
CID 2352626
CID 42606460
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CID 695007
CID 695007
CID 710625
CID 710625
CID 1269632
CID 1269632
CID 1952699
CID 1952699
CID 2909522
CID 2909522
CID 3235407
CID 3235407
CID 4248782
CID 4248782
CID 5005570
CID 5005570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide (CID 6465967) is 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide is CCN(Cc1ccncc1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is VIIURSCHUNFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-16(9-10-5-7-15-8-6-10)13(17)11-3-4-12(14)18-11/h3-8H,2,9H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 6465967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).