2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile

C15H13N3O — CID 51091671

IUPAC2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H13N3O/c16-9-11-5-3-7-17-15(11)18-14-12-6-2-1-4-10(12)8-13(14)19/h1-7,13-14,19H,8H2,(H,17,18)/t13-,14+/m0/s1
InChIKeyWCSJJPVPAUWFNT-UONOGXRCSA-N
MW251.29 g/mol
LogP2.02
Rot. Bonds2

About 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile

2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile (PubChem CID 51091671) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
PubChem CID51091671
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H13N3O/c16-9-11-5-3-7-17-15(11)18-14-12-6-2-1-4-10(12)8-13(14)19/h1-7,13-14,19H,8H2,(H,17,18)/t13-,14+/m0/s1
InChIKeyWCSJJPVPAUWFNT-UONOGXRCSA-N
XLogP2.02
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile (CID 51091671) is 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
The InChIKey is WCSJJPVPAUWFNT-UONOGXRCSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-11-5-3-7-17-15(11)18-14-12-6-2-1-4-10(12)8-13(14)19/h1-7,13-14,19H,8H2,(H,17,18)/t13-,14+/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 51091671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).