N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide

C13H15N3O — CID 70589492

IUPACN-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
SMILESCNC(=O)C1NCCC2C1=Nc1ccccc12
InChIInChI=1S/C13H15N3O/c1-14-13(17)12-11-9(6-7-15-12)8-4-2-3-5-10(8)16-11/h2-5,9,12,15H,6-7H2,1H3,(H,14,17)
InChIKeyFSVBAWVCYRUQCG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.96
Rot. Bonds1

About N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide

N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 70589492) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID70589492
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
SMILESCNC(=O)C1NCCC2C1=Nc1ccccc12
InChIInChI=1S/C13H15N3O/c1-14-13(17)12-11-9(6-7-15-12)8-4-2-3-5-10(8)16-11/h2-5,9,12,15H,6-7H2,1H3,(H,14,17)
InChIKeyFSVBAWVCYRUQCG-UHFFFAOYSA-N
XLogP0.96
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide (CID 70589492) is N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide is CNC(=O)C1NCCC2C1=Nc1ccccc12.
What is the InChIKey of N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is FSVBAWVCYRUQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-13(17)12-11-9(6-7-15-12)8-4-2-3-5-10(8)16-11/h2-5,9,12,15H,6-7H2,1H3,(H,14,17).
What are the key properties of N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,4,4a-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 70589492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).