6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

C16H17N3O2 — CID 125171641

About 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide (PubChem CID 125171641) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
• PubChem CID: 125171641
• Molecular Formula: C16H17N3O2
• Molecular Weight: 283.33 g/mol
• Exact Mass: 283.13
• IUPAC Name: 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
• SMILES: Cc1cc2c(c(-c3ccc(C(N)=O)cn3)c1)O[C@@H](CN)C2
• InChI: InChI=1S/C16H17N3O2/c1-9-4-11-6-12(7-17)21-15(11)13(5-9)14-3-2-10(8-19-14)16(18)20/h2-5,8,12H,6-7,17H2,1H3,(H2,18,20)/t12-/m1/s1
• InChIKey: NCTIOKXZHRIBJF-GFCCVEGCSA-N
• XLogP: 1.42
• TPSA: 91.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.33
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide (CID 125171641) is 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide is Cc1cc2c(c(-c3ccc(C(N)=O)cn3)c1)O[C@@H](CN)C2.

What is the InChIKey of 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

The InChIKey is NCTIOKXZHRIBJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-4-11-6-12(7-17)21-15(11)13(5-9)14-3-2-10(8-19-14)16(18)20/h2-5,8,12H,6-7,17H2,1H3,(H2,18,20)/t12-/m1/s1.

What are the key properties of 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 125171641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).