ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate

C21H20N2O4 — CID 55632980

IUPACethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2)nc1C
InChIInChI=1S/C21H20N2O4/c1-3-26-21(25)18-11-12-19(22-15(18)2)20(24)23(14-17-10-7-13-27-17)16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3
InChIKeyVZLCWACOZIRKMQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.01
Rot. Bonds6

About ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55632980) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55632980
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Nameethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2)nc1C
InChIInChI=1S/C21H20N2O4/c1-3-26-21(25)18-11-12-19(22-15(18)2)20(24)23(14-17-10-7-13-27-17)16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3
InChIKeyVZLCWACOZIRKMQ-UHFFFAOYSA-N
XLogP4.01
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 78889031
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 18273783
N-(furan-2-ylmethyl)-3,5-dimethoxy-N-phenylbenzamide
CID 18100555
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 55668006
N-ethyl-6-(furan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109117424
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223
N-(furan-2-ylmethyl)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 18192896
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
N-(furan-2-ylmethyl)-2-(2-methoxyphenoxy)-N-phenylacetamide
CID 18100575
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate (CID 55632980) is ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2)nc1C.
What is the InChIKey of ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is VZLCWACOZIRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-26-21(25)18-11-12-19(22-15(18)2)20(24)23(14-17-10-7-13-27-17)16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55632980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).