3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide

C10H13N3O — CID 3076295

IUPAC3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
SMILESNC(=O)c1c(N)ncc2c1CCCC2
InChIInChI=1S/C10H13N3O/c11-9-8(10(12)14)7-4-2-1-3-6(7)5-13-9/h5H,1-4H2,(H2,11,13)(H2,12,14)
InChIKeyZQODGTWOPUEWJO-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.64
Rot. Bonds1

About 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide

3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide (PubChem CID 3076295) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
PubChem CID3076295
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
SMILESNC(=O)c1c(N)ncc2c1CCCC2
InChIInChI=1S/C10H13N3O/c11-9-8(10(12)14)7-4-2-1-3-6(7)5-13-9/h5H,1-4H2,(H2,11,13)(H2,12,14)
InChIKeyZQODGTWOPUEWJO-UHFFFAOYSA-N
XLogP0.64
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide (CID 3076295) is 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide is NC(=O)c1c(N)ncc2c1CCCC2.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is ZQODGTWOPUEWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-9-8(10(12)14)7-4-2-1-3-6(7)5-13-9/h5H,1-4H2,(H2,11,13)(H2,12,14).
What are the key properties of 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 3076295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).