2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile

C18H15N5O — CID 169394863

IUPAC2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)n1ccc2cc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)ccc21
InChIInChI=1S/C18H15N5O/c1-10(2)23-6-5-11-7-12(3-4-15(11)23)16-13(8-19)17(21)22-18(24)14(16)9-20/h3-7,10H,1-2H3,(H3,21,22,24)
InChIKeyVMIYMCVBLHKHMV-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.90
Rot. Bonds2

About 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile

2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394863) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394863
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)n1ccc2cc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)ccc21
InChIInChI=1S/C18H15N5O/c1-10(2)23-6-5-11-7-12(3-4-15(11)23)16-13(8-19)17(21)22-18(24)14(16)9-20/h3-7,10H,1-2H3,(H3,21,22,24)
InChIKeyVMIYMCVBLHKHMV-UHFFFAOYSA-N
XLogP2.90
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile (CID 169394863) is 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile is CC(C)n1ccc2cc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)ccc21.
What is the InChIKey of 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is VMIYMCVBLHKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-10(2)23-6-5-11-7-12(3-4-15(11)23)16-13(8-19)17(21)22-18(24)14(16)9-20/h3-7,10H,1-2H3,(H3,21,22,24).
What are the key properties of 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile?
2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 317.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(1-propan-2-ylindol-5-yl)-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).