3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C18H18N2O2 — CID 975422

IUPAC3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C
InChIInChI=1S/C18H18N2O2/c1-11-8-15-13(3)17(22-16(15)9-12(11)2)18(21)20-10-14-4-6-19-7-5-14/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyROXIURQQMKJYJX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.68
Rot. Bonds3

About 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 975422) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID975422
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C
InChIInChI=1S/C18H18N2O2/c1-11-8-15-13(3)17(22-16(15)9-12(11)2)18(21)20-10-14-4-6-19-7-5-14/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyROXIURQQMKJYJX-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
2-[2-[(3-aminoazetidin-1-yl)-pyridin-4-ylmethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251176
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 135581547
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
N'-(1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 2390945
N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 2872083
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 7677977
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 975422) is 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C.
What is the InChIKey of 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ROXIURQQMKJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-8-15-13(3)17(22-16(15)9-12(11)2)18(21)20-10-14-4-6-19-7-5-14/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 975422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).