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

C14H16N4O2 — CID 61163280

IUPAC(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1noc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C14H16N4O2/c1-9-17-13(20-18-9)8-16-14(19)12-6-10-4-2-3-5-11(10)7-15-12/h2-5,12,15H,6-8H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyZKYYGXJFUIWOKV-GFCCVEGCSA-N
MW272.31 g/mol
LogP0.71
Rot. Bonds3

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

(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 61163280) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID61163280
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1noc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C14H16N4O2/c1-9-17-13(20-18-9)8-16-14(19)12-6-10-4-2-3-5-11(10)7-15-12/h2-5,12,15H,6-8H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyZKYYGXJFUIWOKV-GFCCVEGCSA-N
XLogP0.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106416281
(3S)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324930
(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61165563
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119891860
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61015389
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61283928
N-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667925
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103814858

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 61163280) is (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1noc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1.
What is the InChIKey of (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ZKYYGXJFUIWOKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-17-13(20-18-9)8-16-14(19)12-6-10-4-2-3-5-11(10)7-15-12/h2-5,12,15H,6-8H2,1H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 61163280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).