2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide

C15H15N3O2 — CID 103806791

IUPAC2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H15N3O2/c19-14-8-10(4-7-17-14)15(20)18-13-3-1-2-11-9-16-6-5-12(11)13/h1-4,7-8,16H,5-6,9H2,(H,17,19)(H,18,20)
InChIKeyUFKGHTQQCAKYIO-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.27
Rot. Bonds2

About 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide

2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide (PubChem CID 103806791) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
PubChem CID103806791
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H15N3O2/c19-14-8-10(4-7-17-14)15(20)18-13-3-1-2-11-9-16-6-5-12(11)13/h1-4,7-8,16H,5-6,9H2,(H,17,19)(H,18,20)
InChIKeyUFKGHTQQCAKYIO-UHFFFAOYSA-N
XLogP1.27
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
4-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80548205
N-(2-chlorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600737
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide (CID 103806791) is 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide is O=C(Nc1cccc2c1CCNC2)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide?
The InChIKey is UFKGHTQQCAKYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14-8-10(4-7-17-14)15(20)18-13-3-1-2-11-9-16-6-5-12(11)13/h1-4,7-8,16H,5-6,9H2,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide?
2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103806791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).