N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C17H19N3O — CID 114932225

IUPACN-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2NCCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-11-9-12(2)19-15(10-11)20-17(21)16-14-6-4-3-5-13(14)7-8-18-16/h3-6,9-10,16,18H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyRWGDDZLJHLGUSR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.52
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 114932225) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID114932225
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2NCCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-11-9-12(2)19-15(10-11)20-17(21)16-14-6-4-3-5-13(14)7-8-18-16/h3-6,9-10,16,18H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyRWGDDZLJHLGUSR-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107583487
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 104617918
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
(3S)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985001
(3R)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985000
N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107701348
(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 104985011
N-(4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
CID 115976769
1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 75523399
N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 62996110
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
N-(4,6-dimethyl-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22105811

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 114932225) is N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is Cc1cc(C)nc(NC(=O)C2NCCc3ccccc32)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is RWGDDZLJHLGUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-9-12(2)19-15(10-11)20-17(21)16-14-6-4-3-5-13(14)7-8-18-16/h3-6,9-10,16,18H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 114932225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).