2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile

C16H15N3O — CID 56874199

IUPAC2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCCCc1c(C#N)c(N)nc2c1Cc1c(O)cccc1-2
InChIInChI=1S/C16H15N3O/c1-2-4-9-12-7-11-10(5-3-6-14(11)20)15(12)19-16(18)13(9)8-17/h3,5-6,20H,2,4,7H2,1H3,(H2,18,19)
InChIKeyNOCYKQPKPFBLDR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.76
Rot. Bonds2

About 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile

2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 56874199) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile
PubChem CID56874199
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCCCc1c(C#N)c(N)nc2c1Cc1c(O)cccc1-2
InChIInChI=1S/C16H15N3O/c1-2-4-9-12-7-11-10(5-3-6-14(11)20)15(12)19-16(18)13(9)8-17/h3,5-6,20H,2,4,7H2,1H3,(H2,18,19)
InChIKeyNOCYKQPKPFBLDR-UHFFFAOYSA-N
XLogP2.76
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile (CID 56874199) is 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile is CCCc1c(C#N)c(N)nc2c1Cc1c(O)cccc1-2.
What is the InChIKey of 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is NOCYKQPKPFBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-4-9-12-7-11-10(5-3-6-14(11)20)15(12)19-16(18)13(9)8-17/h3,5-6,20H,2,4,7H2,1H3,(H2,18,19).
What are the key properties of 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile?
2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-4-propyl-5H-indeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 56874199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).