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

C16H17N3O2 — CID 125171641

IUPAC6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
SMILESCc1cc2c(c(-c3ccc(C(N)=O)cn3)c1)O[C@@H](CN)C2
InChIInChI=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
InChIKeyNCTIOKXZHRIBJF-GFCCVEGCSA-N
MW283.33 g/mol
LogP1.42
Rot. Bonds3

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 Name6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
PubChem CID125171641
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
SMILESCc1cc2c(c(-c3ccc(C(N)=O)cn3)c1)O[C@@H](CN)C2
InChIInChI=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
InChIKeyNCTIOKXZHRIBJF-GFCCVEGCSA-N
XLogP1.42
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).