5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide

C12H11BrN2O2 — CID 60629759

IUPAC5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cncc(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-15(8-11-3-2-4-17-11)12(16)9-5-10(13)7-14-6-9/h2-7H,8H2,1H3
InChIKeySSQJYDSEBYYGND-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.71
Rot. Bonds3

About 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide

5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 60629759) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID60629759
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cncc(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-15(8-11-3-2-4-17-11)12(16)9-5-10(13)7-14-6-9/h2-7H,8H2,1H3
InChIKeySSQJYDSEBYYGND-UHFFFAOYSA-N
XLogP2.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 60682663
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
CID 112750794
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 47339435
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 16549492

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide (CID 60629759) is 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide is CN(Cc1ccco1)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is SSQJYDSEBYYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-15(8-11-3-2-4-17-11)12(16)9-5-10(13)7-14-6-9/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide?
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 60629759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).