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

C16H14N2O2 — CID 21211963

IUPAC3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1ccnc(NC(=O)c2oc3ccccc3c2C)c1
InChIInChI=1S/C16H14N2O2/c1-10-7-8-17-14(9-10)18-16(19)15-11(2)12-5-3-4-6-13(12)20-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyHRKQCTSZQZQODH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.70
Rot. Bonds2

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

3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 21211963) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID21211963
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1ccnc(NC(=O)c2oc3ccccc3c2C)c1
InChIInChI=1S/C16H14N2O2/c1-10-7-8-17-14(9-10)18-16(19)15-11(2)12-5-3-4-6-13(12)20-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyHRKQCTSZQZQODH-UHFFFAOYSA-N
XLogP3.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 21211963) is 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is Cc1ccnc(NC(=O)c2oc3ccccc3c2C)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is HRKQCTSZQZQODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-7-8-17-14(9-10)18-16(19)15-11(2)12-5-3-4-6-13(12)20-15/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 21211963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).