1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide

C22H18ClN5O3 — CID 66593440

IUPAC1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccncc2=O)cc1)C1C=CCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN5O3/c23-15-3-5-17(6-4-15)26-22(31)28-12-1-2-19(28)21(30)25-16-7-9-18(10-8-16)27-13-11-24-14-20(27)29/h1-11,13-14,19H,12H2,(H,25,30)(H,26,31)
InChIKeyGGHPMOKDRZKXAP-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.30
Rot. Bonds4

About 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide (PubChem CID 66593440) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide
PubChem CID66593440
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC Name1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccncc2=O)cc1)C1C=CCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN5O3/c23-15-3-5-17(6-4-15)26-22(31)28-12-1-2-19(28)21(30)25-16-7-9-18(10-8-16)27-13-11-24-14-20(27)29/h1-11,13-14,19H,12H2,(H,25,30)(H,26,31)
InChIKeyGGHPMOKDRZKXAP-UHFFFAOYSA-N
XLogP3.30
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide
CID 66593208
(1S)-2-N-(4-methylphenyl)-1-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 69497239
(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide
CID 68683077
(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593480
5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide
CID 157373957
(4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide
CID 71081012
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026021
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
2-N-(5-chloro-2-pyridinyl)-1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 58878306
4-(2-oxopyrazin-1-yl)benzoic acid
CID 18453189
(3S)-2-N-(4-chlorophenyl)-6-hydroxy-3-N-[4-(2-sulfanylidene-1-pyridinyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
CID 143232690

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide (CID 66593440) is 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide is O=C(Nc1ccc(-n2ccncc2=O)cc1)C1C=CCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide?
The InChIKey is GGHPMOKDRZKXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c23-15-3-5-17(6-4-15)26-22(31)28-12-1-2-19(28)21(30)25-16-7-9-18(10-8-16)27-13-11-24-14-20(27)29/h1-11,13-14,19H,12H2,(H,25,30)(H,26,31).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide has a molecular weight of 435.87 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide is sourced from PubChem (CID 66593440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).