N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C17H15N3O — CID 65260692

IUPACN-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CNCc3ccccc32)cc1
InChIInChI=1S/C17H15N3O/c18-9-12-5-7-14(8-6-12)20-17(21)16-11-19-10-13-3-1-2-4-15(13)16/h1-8,16,19H,10-11H2,(H,20,21)
InChIKeyRDWSDBOCYTWWKC-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.38
Rot. Bonds2

About N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260692) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260692
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CNCc3ccccc32)cc1
InChIInChI=1S/C17H15N3O/c18-9-12-5-7-14(8-6-12)20-17(21)16-11-19-10-13-3-1-2-4-15(13)16/h1-8,16,19H,10-11H2,(H,20,21)
InChIKeyRDWSDBOCYTWWKC-UHFFFAOYSA-N
XLogP2.38
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166363089
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262162
N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262068
N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262075

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260692) is N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is N#Cc1ccc(NC(=O)C2CNCc3ccccc32)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is RDWSDBOCYTWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-9-12-5-7-14(8-6-12)20-17(21)16-11-19-10-13-3-1-2-4-15(13)16/h1-8,16,19H,10-11H2,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).