(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H18N4O2 — CID 106416281

IUPAC(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1noc(CCNC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H18N4O2/c1-10-18-14(21-19-10)6-7-16-15(20)13-8-11-4-2-3-5-12(11)9-17-13/h2-5,13,17H,6-9H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyURWODGKIFOWCSY-CYBMUJFWSA-N
MW286.34 g/mol
LogP0.75
Rot. Bonds4

About (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 106416281) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID106416281
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1noc(CCNC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H18N4O2/c1-10-18-14(21-19-10)6-7-16-15(20)13-8-11-4-2-3-5-12(11)9-17-13/h2-5,13,17H,6-9H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyURWODGKIFOWCSY-CYBMUJFWSA-N
XLogP0.75
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163280
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103629909
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63240238
(3R)-N-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178668
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
(3S)-N-[2-(methanesulfonamido)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896151
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270428
(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178129
(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119842127
N-[2-(1H-imidazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 23378535

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 106416281) is (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1noc(CCNC(=O)[C@H]2Cc3ccccc3CN2)n1.
What is the InChIKey of (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is URWODGKIFOWCSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-18-14(21-19-10)6-7-16-15(20)13-8-11-4-2-3-5-12(11)9-17-13/h2-5,13,17H,6-9H2,1H3,(H,16,20)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 106416281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).