N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H17N3O3 — CID 51157698

IUPACN-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2ccc(C#N)cc2)CC1=O
InChIInChI=1S/C19H17N3O3/c1-25-17-5-3-2-4-16(17)22-12-14(10-18(22)23)19(24)21-15-8-6-13(11-20)7-9-15/h2-9,14H,10,12H2,1H3,(H,21,24)
InChIKeyLCNNNCMYUHFIRX-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.56
Rot. Bonds4

About N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51157698) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51157698
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2ccc(C#N)cc2)CC1=O
InChIInChI=1S/C19H17N3O3/c1-25-17-5-3-2-4-16(17)22-12-14(10-18(22)23)19(24)21-15-8-6-13(11-20)7-9-15/h2-9,14H,10,12H2,1H3,(H,21,24)
InChIKeyLCNNNCMYUHFIRX-UHFFFAOYSA-N
XLogP2.56
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-cyanophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351650
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55956574
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
(3S)-N-(4-bromo-3-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7831657
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2572856
[4-(4-cyanophenyl)phenyl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4785744

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 51157698) is N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)Nc2ccc(C#N)cc2)CC1=O.
What is the InChIKey of N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LCNNNCMYUHFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-17-5-3-2-4-16(17)22-12-14(10-18(22)23)19(24)21-15-8-6-13(11-20)7-9-15/h2-9,14H,10,12H2,1H3,(H,21,24).
What are the key properties of N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51157698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).