(2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium

C18H15N4O2+ — CID 143184287

IUPAC(2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium
SMILESCCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc([NH+]=O)cc21
InChIInChI=1S/C18H14N4O2/c1-2-22-16-10-13(21-24)8-9-14(16)15(11-19)17(22)20-18(23)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,20,23)/p+1
InChIKeyKUNGVSGVKROGCT-UHFFFAOYSA-O
MW319.34 g/mol
LogP2.26
Rot. Bonds4

About (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium

(2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium (PubChem CID 143184287) has the molecular formula C18H15N4O2+ and a molecular weight of 319.34 g/mol. Its IUPAC name is (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium.

Molecular Properties

Compound Name(2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium
PubChem CID143184287
Molecular FormulaC18H15N4O2+
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name(2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium
SMILESCCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc([NH+]=O)cc21
InChIInChI=1S/C18H14N4O2/c1-2-22-16-10-13(21-24)8-9-14(16)15(11-19)17(22)20-18(23)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,20,23)/p+1
InChIKeyKUNGVSGVKROGCT-UHFFFAOYSA-O
XLogP2.26
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium?
The IUPAC name of (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium (CID 143184287) is (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium.
What is the SMILES notation for (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium?
The canonical SMILES for (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium is CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc([NH+]=O)cc21.
What is the InChIKey of (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium?
The InChIKey is KUNGVSGVKROGCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14N4O2/c1-2-22-16-10-13(21-24)8-9-14(16)15(11-19)17(22)20-18(23)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,20,23)/p+1.
What are the key properties of (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium?
(2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium has a molecular weight of 319.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium is sourced from PubChem (CID 143184287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).