5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide

C16H15N3O2 — CID 62995244

IUPAC5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cc(N)ccc3o2)cn1
InChIInChI=1S/C16H15N3O2/c1-10-2-3-11(8-18-10)9-19-16(20)15-7-12-6-13(17)4-5-14(12)21-15/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyLFEPSOBZGWUHMJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.65
Rot. Bonds3

About 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide

5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 62995244) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID62995244
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cc(N)ccc3o2)cn1
InChIInChI=1S/C16H15N3O2/c1-10-2-3-11(8-18-10)9-19-16(20)15-7-12-6-13(17)4-5-14(12)21-15/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyLFEPSOBZGWUHMJ-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 ≤ 500281.32
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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Related Compounds

5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 106368573
5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62321760
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 81170503
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 62997396
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 62997565
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988
N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123203809
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 55142255
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide (CID 62995244) is 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc(CNC(=O)c2cc3cc(N)ccc3o2)cn1.
What is the InChIKey of 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LFEPSOBZGWUHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-2-3-11(8-18-10)9-19-16(20)15-7-12-6-13(17)4-5-14(12)21-15/h2-8H,9,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 281.32 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-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62995244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).