N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide

C22H23N5O3 — CID 110562700

IUPACN-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCN(c4ccccn4)CC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C22H23N5O3/c1-15(28)24-17-8-6-16(7-9-17)19-20(22(30)25(2)21(19)29)27-13-11-26(12-14-27)18-5-3-4-10-23-18/h3-10H,11-14H2,1-2H3,(H,24,28)
InChIKeyPBYLZQXWXMCQLA-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.57
Rot. Bonds4

About N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide

N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide (PubChem CID 110562700) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide
PubChem CID110562700
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCN(c4ccccn4)CC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C22H23N5O3/c1-15(28)24-17-8-6-16(7-9-17)19-20(22(30)25(2)21(19)29)27-13-11-26(12-14-27)18-5-3-4-10-23-18/h3-10H,11-14H2,1-2H3,(H,24,28)
InChIKeyPBYLZQXWXMCQLA-UHFFFAOYSA-N
XLogP1.57
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(4-ethylpiperazin-1-yl)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562694
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-1-(pyridin-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562439
1-(2-methylphenyl)-3-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110574602
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
3-(4-ethoxyphenyl)-1-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110546585
1,3-bis(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544647
N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
3-(4-methoxyphenyl)-1-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556282
N-[4-[4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxo-1-(pyridin-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562441
1-hexyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556763
oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
CID 164628176

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide (CID 110562700) is N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCN(c4ccccn4)CC3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide?
The InChIKey is PBYLZQXWXMCQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15(28)24-17-8-6-16(7-9-17)19-20(22(30)25(2)21(19)29)27-13-11-26(12-14-27)18-5-3-4-10-23-18/h3-10H,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide?
N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-methyl-2,5-dioxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).