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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Related Compounds

N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide
CID 177366200
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 175073880
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
1-propan-2-ylisoquinoline-5-carboxylic acid
CID 178019104
ethane;N-[1-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 177366227
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
CID 87649733
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
8-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 115021368
3,7-dimethyl-1H-indole-2-carboxylic acid;ethane
CID 145321259

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).