2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide

C19H16N4O4 — CID 55863919

IUPAC2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H16N4O4/c24-17(14-12-13-6-1-2-7-15(13)27-18(14)25)20-9-5-11-23-19(26)22-10-4-3-8-16(22)21-23/h1-4,6-8,10,12H,5,9,11H2,(H,20,24)
InChIKeyIHYYMQAFGAWSAG-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.42
Rot. Bonds5

About 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide

2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide (PubChem CID 55863919) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide
PubChem CID55863919
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H16N4O4/c24-17(14-12-13-6-1-2-7-15(13)27-18(14)25)20-9-5-11-23-19(26)22-10-4-3-8-16(22)21-23/h1-4,6-8,10,12H,5,9,11H2,(H,20,24)
InChIKeyIHYYMQAFGAWSAG-UHFFFAOYSA-N
XLogP1.42
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide (CID 55863919) is 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide is O=C(NCCCn1nc2ccccn2c1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
The InChIKey is IHYYMQAFGAWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-17(14-12-13-6-1-2-7-15(13)27-18(14)25)20-9-5-11-23-19(26)22-10-4-3-8-16(22)21-23/h1-4,6-8,10,12H,5,9,11H2,(H,20,24).
What are the key properties of 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide is sourced from PubChem (CID 55863919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).