3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

C18H18N2O2 — CID 60578796

IUPAC3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1cccnc1NC(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C18H18N2O2/c1-10-7-8-11(2)15-14(10)13(4)16(22-15)18(21)20-17-12(3)6-5-9-19-17/h5-9H,1-4H3,(H,19,20,21)
InChIKeyCICGRBZBMMBWIT-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.31
Rot. Bonds2

About 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 60578796) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID60578796
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1cccnc1NC(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C18H18N2O2/c1-10-7-8-11(2)15-14(10)13(4)16(22-15)18(21)20-17-12(3)6-5-9-19-17/h5-9H,1-4H3,(H,19,20,21)
InChIKeyCICGRBZBMMBWIT-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4,7-trimethyl-N-(3-methyl-2-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

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 60578796) is 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is Cc1cccnc1NC(=O)c1oc2c(C)ccc(C)c2c1C.
What is the InChIKey of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is CICGRBZBMMBWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-10-7-8-11(2)15-14(10)13(4)16(22-15)18(21)20-17-12(3)6-5-9-19-17/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60578796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).