(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide

C14H17N3O2 — CID 103806790

IUPAC(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2cccc3c2CCNC3)N1
InChIInChI=1S/C14H17N3O2/c18-13-5-4-12(16-13)14(19)17-11-3-1-2-9-8-15-7-6-10(9)11/h1-3,12,15H,4-8H2,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyGDQVWUMMRJYVKZ-GFCCVEGCSA-N
MW259.31 g/mol
LogP0.55
Rot. Bonds2

About (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide

(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 103806790) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
PubChem CID103806790
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2cccc3c2CCNC3)N1
InChIInChI=1S/C14H17N3O2/c18-13-5-4-12(16-13)14(19)17-11-3-1-2-9-8-15-7-6-10(9)11/h1-3,12,15H,4-8H2,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyGDQVWUMMRJYVKZ-GFCCVEGCSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopentane-1-carboxamide
CID 107176797
(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
CID 104856418
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
CID 103806791
3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 43808408

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide (CID 103806790) is (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)Nc2cccc3c2CCNC3)N1.
What is the InChIKey of (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is GDQVWUMMRJYVKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-5-4-12(16-13)14(19)17-11-3-1-2-9-8-15-7-6-10(9)11/h1-3,12,15H,4-8H2,(H,16,18)(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103806790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).