N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide

C19H19N3O3 — CID 162787837

IUPACN-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide
SMILESNc1ccc2oc3cc(NC(=O)CN4CCCC4)ccc3c(=O)c2c1
InChIInChI=1S/C19H19N3O3/c20-12-3-6-16-15(9-12)19(24)14-5-4-13(10-17(14)25-16)21-18(23)11-22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11,20H2,(H,21,23)
InChIKeyMUSJMWYFRXJDRB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.56
Rot. Bonds3

About N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide

N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 162787837) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID162787837
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide
SMILESNc1ccc2oc3cc(NC(=O)CN4CCCC4)ccc3c(=O)c2c1
InChIInChI=1S/C19H19N3O3/c20-12-3-6-16-15(9-12)19(24)14-5-4-13(10-17(14)25-16)21-18(23)11-22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11,20H2,(H,21,23)
InChIKeyMUSJMWYFRXJDRB-UHFFFAOYSA-N
XLogP2.56
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide (CID 162787837) is N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide is Nc1ccc2oc3cc(NC(=O)CN4CCCC4)ccc3c(=O)c2c1.
What is the InChIKey of N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is MUSJMWYFRXJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-12-3-6-16-15(9-12)19(24)14-5-4-13(10-17(14)25-16)21-18(23)11-22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11,20H2,(H,21,23).
What are the key properties of N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide?
N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 337.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 162787837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).