3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide

C19H20N2O2 — CID 121238605

IUPAC3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)Nc2cnccc2C)oc2cc(C)c(C)cc12
InChIInChI=1S/C19H20N2O2/c1-5-14-15-8-12(3)13(4)9-17(15)23-18(14)19(22)21-16-10-20-7-6-11(16)2/h6-10H,5H2,1-4H3,(H,21,22)
InChIKeyFSJPXFZVDHDOGX-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.57
Rot. Bonds3

About 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide

3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 121238605) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID121238605
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)Nc2cnccc2C)oc2cc(C)c(C)cc12
InChIInChI=1S/C19H20N2O2/c1-5-14-15-8-12(3)13(4)9-17(15)23-18(14)19(22)21-16-10-20-7-6-11(16)2/h6-10H,5H2,1-4H3,(H,21,22)
InChIKeyFSJPXFZVDHDOGX-UHFFFAOYSA-N
XLogP4.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-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

2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
3-ethylfuro[3,2-c]pyridine-2-carboxylic acid
CID 84663055
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 121238605) is 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide is CCc1c(C(=O)Nc2cnccc2C)oc2cc(C)c(C)cc12.
What is the InChIKey of 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is FSJPXFZVDHDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-5-14-15-8-12(3)13(4)9-17(15)23-18(14)19(22)21-16-10-20-7-6-11(16)2/h6-10H,5H2,1-4H3,(H,21,22).
What are the key properties of 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide?
3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-N-(4-methyl-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121238605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).