N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide

C20H17N3O3 — CID 98201350

IUPACN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide
SMILESO=C1C[C@@H](Cc2ccc(NC(=O)c3cc4ccccn4c3)cc2)C(=O)N1
InChIInChI=1S/C20H17N3O3/c24-18-11-14(19(25)22-18)9-13-4-6-16(7-5-13)21-20(26)15-10-17-3-1-2-8-23(17)12-15/h1-8,10,12,14H,9,11H2,(H,21,26)(H,22,24,25)/t14-/m1/s1
InChIKeyPYNJSPJJKRRNSV-CQSZACIVSA-N
MW347.37 g/mol
LogP2.40
Rot. Bonds4

About N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide

N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide (PubChem CID 98201350) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide
PubChem CID98201350
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide
SMILESO=C1C[C@@H](Cc2ccc(NC(=O)c3cc4ccccn4c3)cc2)C(=O)N1
InChIInChI=1S/C20H17N3O3/c24-18-11-14(19(25)22-18)9-13-4-6-16(7-5-13)21-20(26)15-10-17-3-1-2-8-23(17)12-15/h1-8,10,12,14H,9,11H2,(H,21,26)(H,22,24,25)/t14-/m1/s1
InChIKeyPYNJSPJJKRRNSV-CQSZACIVSA-N
XLogP2.40
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide?
The IUPAC name of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide (CID 98201350) is N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide?
The canonical SMILES for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide is O=C1C[C@@H](Cc2ccc(NC(=O)c3cc4ccccn4c3)cc2)C(=O)N1.
What is the InChIKey of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide?
The InChIKey is PYNJSPJJKRRNSV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18-11-14(19(25)22-18)9-13-4-6-16(7-5-13)21-20(26)15-10-17-3-1-2-8-23(17)12-15/h1-8,10,12,14H,9,11H2,(H,21,26)(H,22,24,25)/t14-/m1/s1.
What are the key properties of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide?
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide is sourced from PubChem (CID 98201350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).