N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C14H19N3O2 — CID 104558339

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC(C)(NC(=O)c1cccc2c1CCNC2)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-14(2,13(15)19)17-12(18)11-5-3-4-9-8-16-7-6-10(9)11/h3-5,16H,6-8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyWWGXXCIURBIFPA-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.33
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558339) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558339
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC(C)(NC(=O)c1cccc2c1CCNC2)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-14(2,13(15)19)17-12(18)11-5-3-4-9-8-16-7-6-10(9)11/h3-5,16H,6-8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyWWGXXCIURBIFPA-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)propanoic acid
CID 104558852
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide
CID 87154170
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426618
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-(2-methylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558421
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558682

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558339) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CC(C)(NC(=O)c1cccc2c1CCNC2)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is WWGXXCIURBIFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,13(15)19)17-12(18)11-5-3-4-9-8-16-7-6-10(9)11/h3-5,16H,6-8H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).