N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide

C23H20N4O4 — CID 71793432

IUPACN-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H20N4O4/c28-18-14-20(31-19-9-5-4-8-17(18)19)22(29)24-12-13-26-23(30)27(16-6-2-1-3-7-16)21(25-26)15-10-11-15/h1-9,14-15H,10-13H2,(H,24,29)
InChIKeyYZTPSFMTHFLLDY-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide

N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 71793432) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID71793432
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H20N4O4/c28-18-14-20(31-19-9-5-4-8-17(18)19)22(29)24-12-13-26-23(30)27(16-6-2-1-3-7-16)21(25-26)15-10-11-15/h1-9,14-15H,10-13H2,(H,24,29)
InChIKeyYZTPSFMTHFLLDY-UHFFFAOYSA-N
XLogP2.45
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide (CID 71793432) is N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide is O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is YZTPSFMTHFLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c28-18-14-20(31-19-9-5-4-8-17(18)19)22(29)24-12-13-26-23(30)27(16-6-2-1-3-7-16)21(25-26)15-10-11-15/h1-9,14-15H,10-13H2,(H,24,29).
What are the key properties of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide?
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 71793432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).