5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide

C16H15N3O2 — CID 62321760

IUPAC5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc3cc(N)ccc3o2)n1
InChIInChI=1S/C16H15N3O2/c1-10-3-2-4-13(19-10)9-18-16(20)15-8-11-7-12(17)5-6-14(11)21-15/h2-8H,9,17H2,1H3,(H,18,20)
InChIKeyRKCYOFRNBQAICK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.65
Rot. Bonds3

About 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide

5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 62321760) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID62321760
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc3cc(N)ccc3o2)n1
InChIInChI=1S/C16H15N3O2/c1-10-3-2-4-13(19-10)9-18-16(20)15-8-11-7-12(17)5-6-14(11)21-15/h2-8H,9,17H2,1H3,(H,18,20)
InChIKeyRKCYOFRNBQAICK-UHFFFAOYSA-N
XLogP2.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
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 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide (CID 62321760) is 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide is Cc1cccc(CNC(=O)c2cc3cc(N)ccc3o2)n1.
What is the InChIKey of 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is RKCYOFRNBQAICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-3-2-4-13(19-10)9-18-16(20)15-8-11-7-12(17)5-6-14(11)21-15/h2-8H,9,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62321760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).