N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide

C13H10ClN3O — CID 21362732

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C13H10ClN3O/c1-7(18)16-11-5-8(14)4-10-9-2-3-15-6-12(9)17-13(10)11/h2-6,17H,1H3,(H,16,18)
InChIKeyUNYBDMHTBISCGP-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.33
Rot. Bonds1

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide (PubChem CID 21362732) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide
PubChem CID21362732
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C13H10ClN3O/c1-7(18)16-11-5-8(14)4-10-9-2-3-15-6-12(9)17-13(10)11/h2-6,17H,1H3,(H,16,18)
InChIKeyUNYBDMHTBISCGP-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide (CID 21362732) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide is CC(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
The InChIKey is UNYBDMHTBISCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-7(18)16-11-5-8(14)4-10-9-2-3-15-6-12(9)17-13(10)11/h2-6,17H,1H3,(H,16,18).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide has a molecular weight of 259.70 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide is sourced from PubChem (CID 21362732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).