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

C15H13N3O2 — CID 61093527

IUPAC5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(N)ccc3o2)nc1
InChIInChI=1S/C15H13N3O2/c1-9-2-5-14(17-8-9)18-15(19)13-7-10-6-11(16)3-4-12(10)20-13/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyRHMJKMVWZAKLJK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.97
Rot. Bonds2

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

5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 61093527) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID61093527
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(N)ccc3o2)nc1
InChIInChI=1S/C15H13N3O2/c1-9-2-5-14(17-8-9)18-15(19)13-7-10-6-11(16)3-4-12(10)20-13/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyRHMJKMVWZAKLJK-UHFFFAOYSA-N
XLogP2.97
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.97
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-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 61093527) is 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(N)ccc3o2)nc1.
What is the InChIKey of 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is RHMJKMVWZAKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-2-5-14(17-8-9)18-15(19)13-7-10-6-11(16)3-4-12(10)20-13/h2-8H,16H2,1H3,(H,17,18,19).
What are the key properties of 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61093527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).