N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C15H21N3O2 — CID 104558154

IUPACN-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H21N3O2/c1-18(2)14(19)7-9-17-15(20)13-5-3-4-11-10-16-8-6-12(11)13/h3-5,16H,6-10H2,1-2H3,(H,17,20)
InChIKeyYHEKMQJQMGRDTK-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.54
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558154) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558154
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H21N3O2/c1-18(2)14(19)7-9-17-15(20)13-5-3-4-11-10-16-8-6-12(11)13/h3-5,16H,6-10H2,1-2H3,(H,17,20)
InChIKeyYHEKMQJQMGRDTK-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558476
2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)propanoic acid
CID 104558852
N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 106325156
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558596
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558797
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558787
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 106396533

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558154) is N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CN(C)C(=O)CCNC(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is YHEKMQJQMGRDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(2)14(19)7-9-17-15(20)13-5-3-4-11-10-16-8-6-12(11)13/h3-5,16H,6-10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).