N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide

C15H15N3O — CID 82584887

IUPACN-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
SMILESO=C(NC1CNCc2ccccc21)c1ccncc1
InChIInChI=1S/C15H15N3O/c19-15(11-5-7-16-8-6-11)18-14-10-17-9-12-3-1-2-4-13(12)14/h1-8,14,17H,9-10H2,(H,18,19)
InChIKeyNYQFWRJYCLUKHD-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.66
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide

N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide (PubChem CID 82584887) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
PubChem CID82584887
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
SMILESO=C(NC1CNCc2ccccc21)c1ccncc1
InChIInChI=1S/C15H15N3O/c19-15(11-5-7-16-8-6-11)18-14-10-17-9-12-3-1-2-4-13(12)14/h1-8,14,17H,9-10H2,(H,18,19)
InChIKeyNYQFWRJYCLUKHD-UHFFFAOYSA-N
XLogP1.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-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

Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide
CID 82584883
N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide
CID 10083556
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82584938
pyrimidin-5-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 116573335
2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 97199538
N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide
CID 82585206
3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82585016
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide (CID 82584887) is N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide is O=C(NC1CNCc2ccccc21)c1ccncc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
The InChIKey is NYQFWRJYCLUKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(11-5-7-16-8-6-11)18-14-10-17-9-12-3-1-2-4-13(12)14/h1-8,14,17H,9-10H2,(H,18,19).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 82584887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).