(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide

C14H17N3O2 — CID 103806993

IUPAC(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccc3c(c2)CNCC3)N1
InChIInChI=1S/C14H17N3O2/c18-13-4-3-12(17-13)14(19)16-11-2-1-9-5-6-15-8-10(9)7-11/h1-2,7,12,15H,3-6,8H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeySBMWQROMSVHGAS-LBPRGKRZSA-N
MW259.31 g/mol
LogP0.55
Rot. Bonds2

About (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide

(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide (PubChem CID 103806993) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
PubChem CID103806993
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccc3c(c2)CNCC3)N1
InChIInChI=1S/C14H17N3O2/c18-13-4-3-12(17-13)14(19)16-11-2-1-9-5-6-15-8-10(9)7-11/h1-2,7,12,15H,3-6,8H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeySBMWQROMSVHGAS-LBPRGKRZSA-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

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
CID 63901725
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119581157
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
CID 79163467
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide (CID 103806993) is (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)Nc2ccc3c(c2)CNCC3)N1.
What is the InChIKey of (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide?
The InChIKey is SBMWQROMSVHGAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-4-3-12(17-13)14(19)16-11-2-1-9-5-6-15-8-10(9)7-11/h1-2,7,12,15H,3-6,8H2,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-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 (2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103806993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).