6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile

C15H13N3O — CID 133392135

IUPAC6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2c3ccccc3CC2O)n1
InChIInChI=1S/C15H13N3O/c16-9-11-5-3-7-14(17-11)18-15-12-6-2-1-4-10(12)8-13(15)19/h1-7,13,15,19H,8H2,(H,17,18)
InChIKeyONVLKXWGGUCFIT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.02
Rot. Bonds2

About 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile

6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile (PubChem CID 133392135) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
PubChem CID133392135
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2c3ccccc3CC2O)n1
InChIInChI=1S/C15H13N3O/c16-9-11-5-3-7-14(17-11)18-15-12-6-2-1-4-10(12)8-13(15)19/h1-7,13,15,19H,8H2,(H,17,18)
InChIKeyONVLKXWGGUCFIT-UHFFFAOYSA-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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Related Compounds

6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
CID 100899920
4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
CID 166335295
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
6-[[(1R,2R)-2-methylcyclopropyl]amino]pyridine-2-carbonitrile
CID 126987207
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
3,5-difluoro-4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]benzonitrile
CID 133447944
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile (CID 133392135) is 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile is N#Cc1cccc(NC2c3ccccc3CC2O)n1.
What is the InChIKey of 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile?
The InChIKey is ONVLKXWGGUCFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-11-5-3-7-14(17-11)18-15-12-6-2-1-4-10(12)8-13(15)19/h1-7,13,15,19H,8H2,(H,17,18).
What are the key properties of 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile?
6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-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 6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).