ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate

C18H18N2O3 — CID 133355595

IUPACethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(C)Cc2cc3ccccc3o2)nc1
InChIInChI=1S/C18H18N2O3/c1-3-22-18(21)14-8-9-17(19-11-14)20(2)12-15-10-13-6-4-5-7-16(13)23-15/h4-11H,3,12H2,1-2H3
InChIKeyFLTZMMZCTDWOOG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.64
Rot. Bonds5

About ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate

ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate (PubChem CID 133355595) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate
PubChem CID133355595
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(C)Cc2cc3ccccc3o2)nc1
InChIInChI=1S/C18H18N2O3/c1-3-22-18(21)14-8-9-17(19-11-14)20(2)12-15-10-13-6-4-5-7-16(13)23-15/h4-11H,3,12H2,1-2H3
InChIKeyFLTZMMZCTDWOOG-UHFFFAOYSA-N
XLogP3.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-N-methylpyridin-2-amine
CID 133355483
N-(1-benzofuran-2-ylmethyl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 133355569
2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137263151
(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone
CID 167840954
1-benzofuran-2-ylmethyl 4-acetylbenzoate
CID 86933494
N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 133355593
[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone
CID 167863202
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
CID 34155031
N-(1-benzofuran-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 110745356
N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133355510

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate (CID 133355595) is ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(N(C)Cc2cc3ccccc3o2)nc1.
What is the InChIKey of ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate?
The InChIKey is FLTZMMZCTDWOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-22-18(21)14-8-9-17(19-11-14)20(2)12-15-10-13-6-4-5-7-16(13)23-15/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate?
ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 133355595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).