3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one

C14H12N2O2 — CID 3152837

IUPAC3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one
SMILESCc1ccnc(NC2OC(=O)c3ccccc32)c1
InChIInChI=1S/C14H12N2O2/c1-9-6-7-15-12(8-9)16-13-10-4-2-3-5-11(10)14(17)18-13/h2-8,13H,1H3,(H,15,16)
InChIKeyNECOFFILDCZYNE-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.67
Rot. Bonds2

About 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one

3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one (PubChem CID 3152837) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one
PubChem CID3152837
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one
SMILESCc1ccnc(NC2OC(=O)c3ccccc32)c1
InChIInChI=1S/C14H12N2O2/c1-9-6-7-15-12(8-9)16-13-10-4-2-3-5-11(10)14(17)18-13/h2-8,13H,1H3,(H,15,16)
InChIKeyNECOFFILDCZYNE-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one (CID 3152837) is 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one is Cc1ccnc(NC2OC(=O)c3ccccc32)c1.
What is the InChIKey of 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
The InChIKey is NECOFFILDCZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-6-7-15-12(8-9)16-13-10-4-2-3-5-11(10)14(17)18-13/h2-8,13H,1H3,(H,15,16).
What are the key properties of 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).