2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide

C14H15N3O2 — CID 136594970

IUPAC2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN=C3CC(N)=O
InChIInChI=1S/C14H15N3O2/c1-19-8-2-3-11-10(6-8)9-4-5-16-12(7-13(15)18)14(9)17-11/h2-3,6,17H,4-5,7H2,1H3,(H2,15,18)
InChIKeyWORCKUCRQOGGHJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.40
Rot. Bonds3

About 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide

2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide (PubChem CID 136594970) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
PubChem CID136594970
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN=C3CC(N)=O
InChIInChI=1S/C14H15N3O2/c1-19-8-2-3-11-10(6-8)9-4-5-16-12(7-13(15)18)14(9)17-11/h2-3,6,17H,4-5,7H2,1H3,(H2,15,18)
InChIKeyWORCKUCRQOGGHJ-UHFFFAOYSA-N
XLogP1.40
TPSA80.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 137177310
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135534458
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
CID 137258618
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 155780424
5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
CID 170981972
2-(6-methoxy-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174598
ethyl 9-methoxy-1,2,5,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 91271831
1-[2-(4-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706966
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(2,4,5-trifluorophenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706973
(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
CID 24852332

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide?
The IUPAC name of 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide (CID 136594970) is 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide.
What is the SMILES notation for 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide?
The canonical SMILES for 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide is COc1ccc2[nH]c3c(c2c1)CCN=C3CC(N)=O.
What is the InChIKey of 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide?
The InChIKey is WORCKUCRQOGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-8-2-3-11-10(6-8)9-4-5-16-12(7-13(15)18)14(9)17-11/h2-3,6,17H,4-5,7H2,1H3,(H2,15,18).
What are the key properties of 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide?
2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide is sourced from PubChem (CID 136594970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).