(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide

C12H13N3O — CID 697981

IUPAC(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)[C@@H]1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H13N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-4,11,14-15H,5-6H2,(H2,13,16)/t11-/m1/s1
InChIKeyGEYNGARYCGPPKK-LLVKDONJSA-N
MW215.26 g/mol
LogP0.84
Rot. Bonds1

About (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide

(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 697981) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID697981
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)[C@@H]1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H13N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-4,11,14-15H,5-6H2,(H2,13,16)/t11-/m1/s1
InChIKeyGEYNGARYCGPPKK-LLVKDONJSA-N
XLogP0.84
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.84
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

ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
CID 86001661
N-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 70041117
benzyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate;hydrochloride
CID 141158550
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 66641029
2-(3,4-dimethoxyphenyl)-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanone
CID 141468668
1-phenyl-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-one;hydrochloride
CID 11772200
(1S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7262088
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 6419924
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 101454798
ethyl (E)-6-hydroxy-3-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]hex-2-enoate
CID 177397393
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylic acid
CID 19868835

Frequently Asked Questions

What is the IUPAC name of (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide (CID 697981) is (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide is NC(=O)[C@@H]1NCCc2c1[nH]c1ccccc21.
What is the InChIKey of (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is GEYNGARYCGPPKK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-4,11,14-15H,5-6H2,(H2,13,16)/t11-/m1/s1.
What are the key properties of (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 697981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).