6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile

C16H14N4O — CID 18156172

IUPAC6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
SMILESCC(=O)N1CCc2cc(Nc3ccc(C#N)cn3)ccc21
InChIInChI=1S/C16H14N4O/c1-11(21)20-7-6-13-8-14(3-4-15(13)20)19-16-5-2-12(9-17)10-18-16/h2-5,8,10H,6-7H2,1H3,(H,18,19)
InChIKeySHXGYEBEIVTEQE-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.61
Rot. Bonds2

About 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile

6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 18156172) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID18156172
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
SMILESCC(=O)N1CCc2cc(Nc3ccc(C#N)cn3)ccc21
InChIInChI=1S/C16H14N4O/c1-11(21)20-7-6-13-8-14(3-4-15(13)20)19-16-5-2-12(9-17)10-18-16/h2-5,8,10H,6-7H2,1H3,(H,18,19)
InChIKeySHXGYEBEIVTEQE-UHFFFAOYSA-N
XLogP2.61
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile (CID 18156172) is 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile is CC(=O)N1CCc2cc(Nc3ccc(C#N)cn3)ccc21.
What is the InChIKey of 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is SHXGYEBEIVTEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(21)20-7-6-13-8-14(3-4-15(13)20)19-16-5-2-12(9-17)10-18-16/h2-5,8,10H,6-7H2,1H3,(H,18,19).
What are the key properties of 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile?
6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 18156172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).