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

C12H11BrN2O2 — CID 106853950

IUPAC2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccoc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-3-2-5-14-10(8)7-15-12(16)9-4-6-17-11(9)13/h2-6H,7H2,1H3,(H,15,16)
InChIKeySDMJZBMGBGFUCM-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.68
Rot. Bonds3

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

2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide (PubChem CID 106853950) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
PubChem CID106853950
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccoc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-3-2-5-14-10(8)7-15-12(16)9-4-6-17-11(9)13/h2-6H,7H2,1H3,(H,15,16)
InChIKeySDMJZBMGBGFUCM-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-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
4-bromo-N-[(3-methyl-2-pyridinyl)methyl]-2-sulfanylbenzamide
CID 107029696
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029690
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
CID 63310048
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
2-(methylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55204056
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide (CID 106853950) is 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide is Cc1cccnc1CNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
The InChIKey is SDMJZBMGBGFUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-3-2-5-14-10(8)7-15-12(16)9-4-6-17-11(9)13/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide?
2-bromo-N-[(3-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-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106853950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).