N-(9H-pyrido[3,4-b]indol-3-yl)acetamide

C13H11N3O — CID 13315120

IUPACN-(9H-pyrido[3,4-b]indol-3-yl)acetamide
SMILESCC(=O)Nc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H11N3O/c1-8(17)15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14-13/h2-7,16H,1H3,(H,14,15,17)
InChIKeyJZIFOHJMLBAWQZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.67
Rot. Bonds1

About N-(9H-pyrido[3,4-b]indol-3-yl)acetamide

N-(9H-pyrido[3,4-b]indol-3-yl)acetamide (PubChem CID 13315120) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(9H-pyrido[3,4-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(9H-pyrido[3,4-b]indol-3-yl)acetamide
PubChem CID13315120
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-(9H-pyrido[3,4-b]indol-3-yl)acetamide
SMILESCC(=O)Nc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H11N3O/c1-8(17)15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14-13/h2-7,16H,1H3,(H,14,15,17)
InChIKeyJZIFOHJMLBAWQZ-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1530
Beta-Carboline
CID 64961
Harman
CID 5281404
Akn-028
CID 44177328
3-Methyl-9h-pyrido[3,4-b]indole
CID 13315103
9H-Pyrido(3,4-b)indole, 1-methyl-, hydrochloride (1:1)
CID 5487918
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
9H-Pyrido(2,3-b)indole
CID 67486

Frequently Asked Questions

What is the IUPAC name of N-(9H-pyrido[3,4-b]indol-3-yl)acetamide?
The IUPAC name of N-(9H-pyrido[3,4-b]indol-3-yl)acetamide (CID 13315120) is N-(9H-pyrido[3,4-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(9H-pyrido[3,4-b]indol-3-yl)acetamide?
The canonical SMILES for N-(9H-pyrido[3,4-b]indol-3-yl)acetamide is CC(=O)Nc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-(9H-pyrido[3,4-b]indol-3-yl)acetamide?
The InChIKey is JZIFOHJMLBAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8(17)15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14-13/h2-7,16H,1H3,(H,14,15,17).
What are the key properties of N-(9H-pyrido[3,4-b]indol-3-yl)acetamide?
N-(9H-pyrido[3,4-b]indol-3-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-pyrido[3,4-b]indol-3-yl)acetamide is sourced from PubChem (CID 13315120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).