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

C15H12N2O2 — CID 2872083

IUPACN-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C15H12N2O2/c1-10-6-7-16-14(8-10)17-15(18)13-9-11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17,18)
InChIKeyVRLUFVILLNQFSJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.39
Rot. Bonds2

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

N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 2872083) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID2872083
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C15H12N2O2/c1-10-6-7-16-14(8-10)17-15(18)13-9-11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17,18)
InChIKeyVRLUFVILLNQFSJ-UHFFFAOYSA-N
XLogP3.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 2872083) is N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is Cc1ccnc(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is VRLUFVILLNQFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-6-7-16-14(8-10)17-15(18)13-9-11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2872083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).