N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide

C15H19N3O — CID 130265518

IUPACN-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide
SMILESCC(=O)N(C)CN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C15H19N3O/c1-11(19)17(2)10-18-8-7-13-12-5-3-4-6-14(12)16-15(13)9-18/h3-6,16H,7-10H2,1-2H3
InChIKeyIGSQDTLVUXRUDL-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds2

About N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide

N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide (PubChem CID 130265518) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide
PubChem CID130265518
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide
SMILESCC(=O)N(C)CN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C15H19N3O/c1-11(19)17(2)10-18-8-7-13-12-5-3-4-6-14(12)16-15(13)9-18/h3-6,16H,7-10H2,1-2H3
InChIKeyIGSQDTLVUXRUDL-UHFFFAOYSA-N
XLogP1.96
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol
CID 156709538
1-[4-(1-phenylethyl)piperazin-1-yl]-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 25161253
2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 22154185
ethane;2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 156709486
1-(4-fluorophenyl)-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butan-1-one
CID 18621486
2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 136550652
1-[(3R)-3-methylpiperidin-1-yl]-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 95218444
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
2-[(3-methylthiophen-2-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 40514091
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid
CID 87851999
3-phenoxy-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 110867183

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide (CID 130265518) is N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide is CC(=O)N(C)CN1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide?
The InChIKey is IGSQDTLVUXRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(19)17(2)10-18-8-7-13-12-5-3-4-6-14(12)16-15(13)9-18/h3-6,16H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide?
N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide is sourced from PubChem (CID 130265518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).