N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide

C15H12N2O2 — CID 141014022

IUPACN-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2occc2c1)c1ccccn1
InChIInChI=1S/C15H12N2O2/c1-17(14-4-2-3-8-16-14)15(18)12-5-6-13-11(10-12)7-9-19-13/h2-10H,1H3
InChIKeyXEQOKLLPQVIFQQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.10
Rot. Bonds2

About N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide

N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide (PubChem CID 141014022) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide
PubChem CID141014022
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2occc2c1)c1ccccn1
InChIInChI=1S/C15H12N2O2/c1-17(14-4-2-3-8-16-14)15(18)12-5-6-13-11(10-12)7-9-19-13/h2-10H,1H3
InChIKeyXEQOKLLPQVIFQQ-UHFFFAOYSA-N
XLogP3.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide?
The IUPAC name of N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide (CID 141014022) is N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide is CN(C(=O)c1ccc2occc2c1)c1ccccn1.
What is the InChIKey of N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide?
The InChIKey is XEQOKLLPQVIFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17(14-4-2-3-8-16-14)15(18)12-5-6-13-11(10-12)7-9-19-13/h2-10H,1H3.
What are the key properties of N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide?
N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 141014022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).