N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide

C14H15BrN2O3 — CID 51114491

IUPACN-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O3/c1-3-19-13-11(5-4-8-16-13)14(18)17(2)9-10-6-7-12(15)20-10/h4-8H,3,9H2,1-2H3
InChIKeyYACHPZNMTQNDJG-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.11
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide

N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide (PubChem CID 51114491) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
PubChem CID51114491
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O3/c1-3-19-13-11(5-4-8-16-13)14(18)17(2)9-10-6-7-12(15)20-10/h4-8H,3,9H2,1-2H3
InChIKeyYACHPZNMTQNDJG-UHFFFAOYSA-N
XLogP3.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide (CID 51114491) is N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The InChIKey is YACHPZNMTQNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-19-13-11(5-4-8-16-13)14(18)17(2)9-10-6-7-12(15)20-10/h4-8H,3,9H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 51114491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).