N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C17H18N2O3 — CID 164635182

IUPACN-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(N[C@H](CO)Cc1cccnc1)c1cccc2c1OCC2
InChIInChI=1S/C17H18N2O3/c20-11-14(9-12-3-2-7-18-10-12)19-17(21)15-5-1-4-13-6-8-22-16(13)15/h1-5,7,10,14,20H,6,8-9,11H2,(H,19,21)/t14-/m0/s1
InChIKeyWWMUEWIIOQYBNH-AWEZNQCLSA-N
MW298.34 g/mol
LogP1.35
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 164635182) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID164635182
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(N[C@H](CO)Cc1cccnc1)c1cccc2c1OCC2
InChIInChI=1S/C17H18N2O3/c20-11-14(9-12-3-2-7-18-10-12)19-17(21)15-5-1-4-13-6-8-22-16(13)15/h1-5,7,10,14,20H,6,8-9,11H2,(H,19,21)/t14-/m0/s1
InChIKeyWWMUEWIIOQYBNH-AWEZNQCLSA-N
XLogP1.35
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 164635754
5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 166237556
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 154655443
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine
CID 105189486
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 164635182) is N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is O=C(N[C@H](CO)Cc1cccnc1)c1cccc2c1OCC2.
What is the InChIKey of N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is WWMUEWIIOQYBNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-11-14(9-12-3-2-7-18-10-12)19-17(21)15-5-1-4-13-6-8-22-16(13)15/h1-5,7,10,14,20H,6,8-9,11H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 164635182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).