N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C13H14N2O — CID 65260647

IUPACN-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESC#CCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C13H14N2O/c1-2-7-15-13(16)12-9-14-8-10-5-3-4-6-11(10)12/h1,3-6,12,14H,7-9H2,(H,15,16)
InChIKeyNYZSPDLNRYBGFO-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.62
Rot. Bonds2

About N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260647) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260647
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESC#CCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C13H14N2O/c1-2-7-15-13(16)12-9-14-8-10-5-3-4-6-11(10)12/h1,3-6,12,14H,7-9H2,(H,15,16)
InChIKeyNYZSPDLNRYBGFO-UHFFFAOYSA-N
XLogP0.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-prop-2-ynyl-1,2,3,4-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 N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260647) is N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is C#CCNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is NYZSPDLNRYBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-7-15-13(16)12-9-14-8-10-5-3-4-6-11(10)12/h1,3-6,12,14H,7-9H2,(H,15,16).
What are the key properties of N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).