N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide

C16H12N4O2 — CID 797821

IUPACN-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ncc2c([nH]c3ccccc32)c1C#N
InChIInChI=1S/C16H12N4O2/c1-9(21)20(10(2)22)16-12(7-17)15-13(8-18-16)11-5-3-4-6-14(11)19-15/h3-6,8,19H,1-2H3
InChIKeyKKOUNCQWUFDVCG-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.49
Rot. Bonds1

About N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide

N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide (PubChem CID 797821) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide
PubChem CID797821
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ncc2c([nH]c3ccccc32)c1C#N
InChIInChI=1S/C16H12N4O2/c1-9(21)20(10(2)22)16-12(7-17)15-13(8-18-16)11-5-3-4-6-14(11)19-15/h3-6,8,19H,1-2H3
InChIKeyKKOUNCQWUFDVCG-UHFFFAOYSA-N
XLogP2.49
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide?
The IUPAC name of N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide (CID 797821) is N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide?
The canonical SMILES for N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide is CC(=O)N(C(C)=O)c1ncc2c([nH]c3ccccc32)c1C#N.
What is the InChIKey of N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide?
The InChIKey is KKOUNCQWUFDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-9(21)20(10(2)22)16-12(7-17)15-13(8-18-16)11-5-3-4-6-14(11)19-15/h3-6,8,19H,1-2H3.
What are the key properties of N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide?
N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide has a molecular weight of 292.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide is sourced from PubChem (CID 797821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).