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

C15H22N2O — CID 24699121

IUPACN-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCCCNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O/c1-2-3-6-9-16-15(18)14-10-12-7-4-5-8-13(12)11-17-14/h4-5,7-8,14,17H,2-3,6,9-11H2,1H3,(H,16,18)
InChIKeyONIDIXSIRZKGCC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.01
Rot. Bonds5

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

N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 24699121) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID24699121
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCCCNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O/c1-2-3-6-9-16-15(18)14-10-12-7-4-5-8-13(12)11-17-14/h4-5,7-8,14,17H,2-3,6,9-11H2,1H3,(H,16,18)
InChIKeyONIDIXSIRZKGCC-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3-propoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896803
5-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869585
(3S)-N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106235752
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679
ethyl 4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoate
CID 104896592
(3S)-N-[3-oxo-3-(propylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896424
(3S)-N-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 93451421
(3R)-N-(3-cyanopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62665883
(3R)-N-pent-4-ynyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106222105
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 24699121) is N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCCCCNC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ONIDIXSIRZKGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-6-9-16-15(18)14-10-12-7-4-5-8-13(12)11-17-14/h4-5,7-8,14,17H,2-3,6,9-11H2,1H3,(H,16,18).
What are the key properties of N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 24699121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).