5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

C15H14FN3O2 — CID 125167822

IUPAC5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
SMILESNC[C@H]1Cc2c(F)ccc(-c3cncc(C(N)=O)c3)c2O1
InChIInChI=1S/C15H14FN3O2/c16-13-2-1-11(14-12(13)4-10(5-17)21-14)8-3-9(15(18)20)7-19-6-8/h1-3,6-7,10H,4-5,17H2,(H2,18,20)/t10-/m1/s1
InChIKeyTZFJDROARQCDLQ-SNVBAGLBSA-N
MW287.29 g/mol
LogP1.25
Rot. Bonds3

About 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide (PubChem CID 125167822) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
PubChem CID125167822
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
SMILESNC[C@H]1Cc2c(F)ccc(-c3cncc(C(N)=O)c3)c2O1
InChIInChI=1S/C15H14FN3O2/c16-13-2-1-11(14-12(13)4-10(5-17)21-14)8-3-9(15(18)20)7-19-6-8/h1-3,6-7,10H,4-5,17H2,(H2,18,20)/t10-/m1/s1
InChIKeyTZFJDROARQCDLQ-SNVBAGLBSA-N
XLogP1.25
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125172610
[(2S)-4-fluoro-7-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95208010
5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 71303513
5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 126467458
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide
CID 122561514
N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
CID 42432354
5-[(2S)-2-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 42449745
5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide
CID 68502003
6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964410

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide (CID 125167822) is 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide is NC[C@H]1Cc2c(F)ccc(-c3cncc(C(N)=O)c3)c2O1.
What is the InChIKey of 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?
The InChIKey is TZFJDROARQCDLQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-13-2-1-11(14-12(13)4-10(5-17)21-14)8-3-9(15(18)20)7-19-6-8/h1-3,6-7,10H,4-5,17H2,(H2,18,20)/t10-/m1/s1.
What are the key properties of 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?
5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 125167822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).