N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide

C16H15N3O2 — CID 69312957

IUPACN-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)c1c(C)ccnc1n2C(C)=O
InChIInChI=1S/C16H15N3O2/c1-9-6-7-17-16-15(9)13-8-12(18-10(2)20)4-5-14(13)19(16)11(3)21/h4-8H,1-3H3,(H,18,20)
InChIKeyYWQKQYMZDZVBEM-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.12
Rot. Bonds1

About N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide

N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide (PubChem CID 69312957) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide.

Molecular Properties

Compound NameN-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide
PubChem CID69312957
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)c1c(C)ccnc1n2C(C)=O
InChIInChI=1S/C16H15N3O2/c1-9-6-7-17-16-15(9)13-8-12(18-10(2)20)4-5-14(13)19(16)11(3)21/h4-8H,1-3H3,(H,18,20)
InChIKeyYWQKQYMZDZVBEM-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide?
The IUPAC name of N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide (CID 69312957) is N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide.
What is the SMILES notation for N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide?
The canonical SMILES for N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide is CC(=O)Nc1ccc2c(c1)c1c(C)ccnc1n2C(C)=O.
What is the InChIKey of N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide?
The InChIKey is YWQKQYMZDZVBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-6-7-17-16-15(9)13-8-12(18-10(2)20)4-5-14(13)19(16)11(3)21/h4-8H,1-3H3,(H,18,20).
What are the key properties of N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide?
N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-acetyl-4-methylpyrido[2,3-b]indol-6-yl)acetamide is sourced from PubChem (CID 69312957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).