2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide

C13H15N3O — CID 86001661

IUPAC2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
SMILESNC(=O)CC1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H15N3O/c14-12(17)7-11-13-9(5-6-15-11)8-3-1-2-4-10(8)16-13/h1-4,11,15-16H,5-7H2,(H2,14,17)
InChIKeyVJFCLERWWFGAGZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.23
Rot. Bonds2

About 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide

2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide (PubChem CID 86001661) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
PubChem CID86001661
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
SMILESNC(=O)CC1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H15N3O/c14-12(17)7-11-13-9(5-6-15-11)8-3-1-2-4-10(8)16-13/h1-4,11,15-16H,5-7H2,(H2,14,17)
InChIKeyVJFCLERWWFGAGZ-UHFFFAOYSA-N
XLogP1.23
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 697981
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
CID 132585352
2-[3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
CID 14162516
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
CID 10014060
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 66641029
(1S)-1-[(4-methylphenyl)sulfinylmethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 100965004
1-[(2-nitrophenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 15293063
benzyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate;hydrochloride
CID 141158550
1-ethynyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 14946832
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6919090
4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine
CID 171396484

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide?
The IUPAC name of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide (CID 86001661) is 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide.
What is the SMILES notation for 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide?
The canonical SMILES for 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide is NC(=O)CC1NCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide?
The InChIKey is VJFCLERWWFGAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-12(17)7-11-13-9(5-6-15-11)8-3-1-2-4-10(8)16-13/h1-4,11,15-16H,5-7H2,(H2,14,17).
What are the key properties of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide?
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide is sourced from PubChem (CID 86001661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).