N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C17H21N3O3 — CID 130265629

IUPACN-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)C(C)CN(C(=O)N(C)C(C)=O)C3
InChIInChI=1S/C17H21N3O3/c1-10-8-20(17(22)19(3)11(2)21)9-15-16(10)13-7-12(23-4)5-6-14(13)18-15/h5-7,10,18H,8-9H2,1-4H3
InChIKeyGLTZGOIAFITADM-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.69
Rot. Bonds1

About N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 130265629) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID130265629
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)C(C)CN(C(=O)N(C)C(C)=O)C3
InChIInChI=1S/C17H21N3O3/c1-10-8-20(17(22)19(3)11(2)21)9-15-16(10)13-7-12(23-4)5-6-14(13)18-15/h5-7,10,18H,8-9H2,1-4H3
InChIKeyGLTZGOIAFITADM-UHFFFAOYSA-N
XLogP2.69
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
CID 140799634
4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 84638532
1,3-benzodioxol-5-yl-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 113090206
8-methoxy-N-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 113089350
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 113090192
1-(6-chloro-4-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 162029795
6-methoxy-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
CID 65333336
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(2-methylphenyl)methanone
CID 113090173
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 113203936
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65332552

Frequently Asked Questions

What is the IUPAC name of N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 130265629) is N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is COc1ccc2[nH]c3c(c2c1)C(C)CN(C(=O)N(C)C(C)=O)C3.
What is the InChIKey of N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is GLTZGOIAFITADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-8-20(17(22)19(3)11(2)21)9-15-16(10)13-7-12(23-4)5-6-14(13)18-15/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-6-methoxy-N,4-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 130265629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).