(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide

C20H24N4O3 — CID 97131135

IUPAC(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H24N4O3/c25-18-11-15(13-23(18)16-6-2-3-7-16)19(26)21-9-10-24-20(27)17-8-4-1-5-14(17)12-22-24/h1,4-5,8,12,15-16H,2-3,6-7,9-11,13H2,(H,21,26)/t15-/m1/s1
InChIKeyJYTXAMPYBHOGOL-OAHLLOKOSA-N
MW368.44 g/mol
LogP1.30
Rot. Bonds5

About (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 97131135) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID97131135
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H24N4O3/c25-18-11-15(13-23(18)16-6-2-3-7-16)19(26)21-9-10-24-20(27)17-8-4-1-5-14(17)12-22-24/h1,4-5,8,12,15-16H,2-3,6-7,9-11,13H2,(H,21,26)/t15-/m1/s1
InChIKeyJYTXAMPYBHOGOL-OAHLLOKOSA-N
XLogP1.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131136
(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 97118781
N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 155498652
(3R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97136827
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
(3S)-1-cyclopentyl-5-oxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 97147266
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3239285

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 97131135) is (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCn1ncc2ccccc2c1=O)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is JYTXAMPYBHOGOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18-11-15(13-23(18)16-6-2-3-7-16)19(26)21-9-10-24-20(27)17-8-4-1-5-14(17)12-22-24/h1,4-5,8,12,15-16H,2-3,6-7,9-11,13H2,(H,21,26)/t15-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97131135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).