N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide

C16H17N3O — CID 175446263

IUPACN-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nccc2c1[nH]c1c(C)cccc12
InChIInChI=1S/C16H17N3O/c1-9-5-4-6-12-13-7-8-17-15(10(2)18-11(3)20)16(13)19-14(9)12/h4-8,10,19H,1-3H3,(H,18,20)
InChIKeyQVXATAJRXKOSFE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.22
Rot. Bonds2

About N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide

N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide (PubChem CID 175446263) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide
PubChem CID175446263
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nccc2c1[nH]c1c(C)cccc12
InChIInChI=1S/C16H17N3O/c1-9-5-4-6-12-13-7-8-17-15(10(2)18-11(3)20)16(13)19-14(9)12/h4-8,10,19H,1-3H3,(H,18,20)
InChIKeyQVXATAJRXKOSFE-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide?
The IUPAC name of N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide (CID 175446263) is N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide is CC(=O)NC(C)c1nccc2c1[nH]c1c(C)cccc12.
What is the InChIKey of N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide?
The InChIKey is QVXATAJRXKOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-9-5-4-6-12-13-7-8-17-15(10(2)18-11(3)20)16(13)19-14(9)12/h4-8,10,19H,1-3H3,(H,18,20).
What are the key properties of N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide?
N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide is sourced from PubChem (CID 175446263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).