N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H21N3O2 — CID 79377587

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(CCNC(=O)C1CNCc2ccccc21)NC1CC1
InChIInChI=1S/C16H21N3O2/c20-15(19-12-5-6-12)7-8-18-16(21)14-10-17-9-11-3-1-2-4-13(11)14/h1-4,12,14,17H,5-10H2,(H,18,21)(H,19,20)
InChIKeyOWUZQQJETFMRTM-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.66
Rot. Bonds5

About N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 79377587) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID79377587
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(CCNC(=O)C1CNCc2ccccc21)NC1CC1
InChIInChI=1S/C16H21N3O2/c20-15(19-12-5-6-12)7-8-18-16(21)14-10-17-9-11-3-1-2-4-13(11)14/h1-4,12,14,17H,5-10H2,(H,18,21)(H,19,20)
InChIKeyOWUZQQJETFMRTM-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 79377573
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 114546203
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262599

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 79377587) is N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(CCNC(=O)C1CNCc2ccccc21)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is OWUZQQJETFMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(19-12-5-6-12)7-8-18-16(21)14-10-17-9-11-3-1-2-4-13(11)14/h1-4,12,14,17H,5-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 79377587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).