2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide

C13H13BrN2O2 — CID 106854223

IUPAC2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ccoc1Br
InChIInChI=1S/C13H13BrN2O2/c1-2-9-4-3-6-15-11(9)8-16-13(17)10-5-7-18-12(10)14/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyBHYDVGNNKJAOGW-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.93
Rot. Bonds4

About 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide

2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide (PubChem CID 106854223) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
PubChem CID106854223
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ccoc1Br
InChIInChI=1S/C13H13BrN2O2/c1-2-9-4-3-6-15-11(9)8-16-13(17)10-5-7-18-12(10)14/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyBHYDVGNNKJAOGW-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853950
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 106994204
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide (CID 106854223) is 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide is CCc1cccnc1CNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide?
The InChIKey is BHYDVGNNKJAOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-9-4-3-6-15-11(9)8-16-13(17)10-5-7-18-12(10)14/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide?
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106854223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).