7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

C16H15N3O2 — CID 88982646

IUPAC7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc2cccc(N)c2o1
InChIInChI=1S/C16H15N3O2/c1-19(10-12-6-2-3-8-18-12)16(20)14-9-11-5-4-7-13(17)15(11)21-14/h2-9H,10,17H2,1H3
InChIKeySLOCEOCVOWFQPF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.68
Rot. Bonds3

About 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 88982646) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID88982646
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc2cccc(N)c2o1
InChIInChI=1S/C16H15N3O2/c1-19(10-12-6-2-3-8-18-12)16(20)14-9-11-5-4-7-13(17)15(11)21-14/h2-9H,10,17H2,1H3
InChIKeySLOCEOCVOWFQPF-UHFFFAOYSA-N
XLogP2.68
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 88982646) is 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is CN(Cc1ccccn1)C(=O)c1cc2cccc(N)c2o1.
What is the InChIKey of 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is SLOCEOCVOWFQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(10-12-6-2-3-8-18-12)16(20)14-9-11-5-4-7-13(17)15(11)21-14/h2-9H,10,17H2,1H3.
What are the key properties of 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 88982646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).