2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide

C19H20N4O4 — CID 55766260

IUPAC2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide
SMILESO=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H20N4O4/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/h1-2,6-7,12H,3-5,8-11H2,(H,20,24)
InChIKeyUVOBXWSIIPSSTK-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.31
Rot. Bonds5

About 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide

2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide (PubChem CID 55766260) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide
PubChem CID55766260
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide
SMILESO=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H20N4O4/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/h1-2,6-7,12H,3-5,8-11H2,(H,20,24)
InChIKeyUVOBXWSIIPSSTK-UHFFFAOYSA-N
XLogP1.31
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.31
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'}

Analyze 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide (CID 55766260) is 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide is O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
The InChIKey is UVOBXWSIIPSSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/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/h1-2,6-7,12H,3-5,8-11H2,(H,20,24).
What are the key properties of 2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide?
2-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.31, 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-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]chromene-3-carboxamide is sourced from PubChem (CID 55766260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).