1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C10H12N2O — CID 4962026

IUPAC1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)
InChIKeyJFMNKDRNEZZRBW-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.19
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-3-carboxamide

1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 4962026) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID4962026
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)
InChIKeyJFMNKDRNEZZRBW-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroisoquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 159156879
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
1,2,3,4-tetrahydroisoquinoline-3-carboximidamide
CID 174590123
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)prop-2-en-1-one
CID 116549750
1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 104896094
1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 61147948
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 4962026) is 1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-3-carboxamide is NC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is JFMNKDRNEZZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13).
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 4962026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).