2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide

C12H11BrN2O2 — CID 106852639

IUPAC2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1ccoc1Br
InChIInChI=1S/C12H11BrN2O2/c1-15(8-9-2-5-14-6-3-9)12(16)10-4-7-17-11(10)13/h2-7H,8H2,1H3
InChIKeyDDNBGCWYWSMPSZ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.71
Rot. Bonds3

About 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide

2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide (PubChem CID 106852639) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
PubChem CID106852639
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1ccoc1Br
InChIInChI=1S/C12H11BrN2O2/c1-15(8-9-2-5-14-6-3-9)12(16)10-4-7-17-11(10)13/h2-7H,8H2,1H3
InChIKeyDDNBGCWYWSMPSZ-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

2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106853464
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 103853024
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide (CID 106852639) is 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide is CN(Cc1ccncc1)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is DDNBGCWYWSMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-15(8-9-2-5-14-6-3-9)12(16)10-4-7-17-11(10)13/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-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 2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106852639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).