2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide

C12H11BrN2O2 — CID 106853869

IUPAC2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccoc2Br)n1
InChIInChI=1S/C12H11BrN2O2/c1-8-3-2-4-9(15-8)7-14-12(16)10-5-6-17-11(10)13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyMEKXKHSNRDNLKW-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.68
Rot. Bonds3

About 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide

2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide (PubChem CID 106853869) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
PubChem CID106853869
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccoc2Br)n1
InChIInChI=1S/C12H11BrN2O2/c1-8-3-2-4-9(15-8)7-14-12(16)10-5-6-17-11(10)13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyMEKXKHSNRDNLKW-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853950
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide
CID 86820820
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide (CID 106853869) is 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide is Cc1cccc(CNC(=O)c2ccoc2Br)n1.
What is the InChIKey of 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
The InChIKey is MEKXKHSNRDNLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-3-2-4-9(15-8)7-14-12(16)10-5-6-17-11(10)13/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106853869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).