N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H21N3O2 — CID 7209012

IUPACN-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCc2ccccc2C1
InChIInChI=1S/C20H21N3O2/c24-19-12-17(14-23(19)18-8-2-1-3-9-18)21-20(25)22-11-10-15-6-4-5-7-16(15)13-22/h1-9,17H,10-14H2,(H,21,25)/t17-/m1/s1
InChIKeyQGTWODAHGITDGB-QGZVFWFLSA-N
MW335.41 g/mol
LogP2.56
Rot. Bonds2

About N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 7209012) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID7209012
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCc2ccccc2C1
InChIInChI=1S/C20H21N3O2/c24-19-12-17(14-23(19)18-8-2-1-3-9-18)21-20(25)22-11-10-15-6-4-5-7-16(15)13-22/h1-9,17H,10-14H2,(H,21,25)/t17-/m1/s1
InChIKeyQGTWODAHGITDGB-QGZVFWFLSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16808956
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108876913
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7209085
3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 146126205
(2R)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
CID 97015203
(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
CID 124606255
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 16812475
4-(furan-2-carbonyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209011
4-(furan-2-carbonyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209010
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 7209012) is N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCc2ccccc2C1.
What is the InChIKey of N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is QGTWODAHGITDGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19-12-17(14-23(19)18-8-2-1-3-9-18)21-20(25)22-11-10-15-6-4-5-7-16(15)13-22/h1-9,17H,10-14H2,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 7209012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).