ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate

C22H24N2O5 — CID 55633376

IUPACethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NC(C)c2cc3cccc(OCC)c3o2)nc1C
InChIInChI=1S/C22H24N2O5/c1-5-27-18-9-7-8-15-12-19(29-20(15)18)14(4)24-21(25)17-11-10-16(13(3)23-17)22(26)28-6-2/h7-12,14H,5-6H2,1-4H3,(H,24,25)
InChIKeyYCYVUGIQLCUXGK-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.20
Rot. Bonds7

About ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55633376) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55633376
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Nameethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NC(C)c2cc3cccc(OCC)c3o2)nc1C
InChIInChI=1S/C22H24N2O5/c1-5-27-18-9-7-8-15-12-19(29-20(15)18)14(4)24-21(25)17-11-10-16(13(3)23-17)22(26)28-6-2/h7-12,14H,5-6H2,1-4H3,(H,24,25)
InChIKeyYCYVUGIQLCUXGK-UHFFFAOYSA-N
XLogP4.20
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618711
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide
CID 134036989
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18282452
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
CID 25468831
N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968255
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate (CID 55633376) is ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)NC(C)c2cc3cccc(OCC)c3o2)nc1C.
What is the InChIKey of ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is YCYVUGIQLCUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-5-27-18-9-7-8-15-12-19(29-20(15)18)14(4)24-21(25)17-11-10-16(13(3)23-17)22(26)28-6-2/h7-12,14H,5-6H2,1-4H3,(H,24,25).
What are the key properties of ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55633376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).