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

C26H24N4O3 — CID 110562507

IUPACN-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
SMILESCCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccncc2)C1=O)c1ccccc1
InChIInChI=1S/C26H24N4O3/c1-3-29(22-7-5-4-6-8-22)24-23(20-9-11-21(12-10-20)28-18(2)31)25(32)30(26(24)33)17-19-13-15-27-16-14-19/h4-16H,3,17H2,1-2H3,(H,28,31)
InChIKeyXMWCZEGRWHZEIT-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.85
Rot. Bonds7

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

N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide (PubChem CID 110562507) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
PubChem CID110562507
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
SMILESCCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccncc2)C1=O)c1ccccc1
InChIInChI=1S/C26H24N4O3/c1-3-29(22-7-5-4-6-8-22)24-23(20-9-11-21(12-10-20)28-18(2)31)25(32)30(26(24)33)17-19-13-15-27-16-14-19/h4-16H,3,17H2,1-2H3,(H,28,31)
InChIKeyXMWCZEGRWHZEIT-UHFFFAOYSA-N
XLogP3.85
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide (CID 110562507) is N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide is CCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccncc2)C1=O)c1ccccc1.
What is the InChIKey of N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The InChIKey is XMWCZEGRWHZEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-29(22-7-5-4-6-8-22)24-23(20-9-11-21(12-10-20)28-18(2)31)25(32)30(26(24)33)17-19-13-15-27-16-14-19/h4-16H,3,17H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).