5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C18H18N2O2 — CID 852715

IUPAC5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1
InChIInChI=1S/C18H18N2O2/c1-3-13-4-5-16-15(10-13)12(2)17(22-16)18(21)20-11-14-6-8-19-9-7-14/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyBZBOGASGNISDCM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.63
Rot. Bonds4

About 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 852715) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID852715
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1
InChIInChI=1S/C18H18N2O2/c1-3-13-4-5-16-15(10-13)12(2)17(22-16)18(21)20-11-14-6-8-19-9-7-14/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyBZBOGASGNISDCM-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bradanicline
CID 25147644
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
(2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(2S)-3-oxo-4-(pyridine-2-sulfonamido)butan-2-yl]pentanamide
CID 10673009
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)furan-2-carboxamide
CID 91391208
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
2-[2-[(3-aminoazetidin-1-yl)-pyridin-4-ylmethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251176
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
N-(2-chloropyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1945906
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11754694
10-(1-Benzofuran-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
CID 13996310
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 135581547

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 852715) is 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is BZBOGASGNISDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-13-4-5-16-15(10-13)12(2)17(22-16)18(21)20-11-14-6-8-19-9-7-14/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 852715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).