N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide

C20H20FN3O5 — CID 166185491

IUPACN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C20H20FN3O5/c21-12-4-5-15-13(10-12)14(25)11-16(29-15)17(26)22-8-3-9-24-18(27)20(23-19(24)28)6-1-2-7-20/h4-5,10-11H,1-3,6-9H2,(H,22,26)(H,23,28)
InChIKeyDPRLKJMQQYJCSW-UHFFFAOYSA-N
MW401.39 g/mol
LogP1.92
Rot. Bonds5

About N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide (PubChem CID 166185491) has the molecular formula C20H20FN3O5 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide
PubChem CID166185491
Molecular FormulaC20H20FN3O5
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C20H20FN3O5/c21-12-4-5-15-13(10-12)14(25)11-16(29-15)17(26)22-8-3-9-24-18(27)20(23-19(24)28)6-1-2-7-20/h4-5,10-11H,1-3,6-9H2,(H,22,26)(H,23,28)
InChIKeyDPRLKJMQQYJCSW-UHFFFAOYSA-N
XLogP1.92
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide (CID 166185491) is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide is O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(=O)c2cc(F)ccc2o1.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide?
The InChIKey is DPRLKJMQQYJCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5/c21-12-4-5-15-13(10-12)14(25)11-16(29-15)17(26)22-8-3-9-24-18(27)20(23-19(24)28)6-1-2-7-20/h4-5,10-11H,1-3,6-9H2,(H,22,26)(H,23,28).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide?
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 166185491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).