2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide

C20H16N4O3 — CID 71807939

IUPAC2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N4O3/c25-19(15-13-14-5-1-2-7-18(14)27-20(15)26)22-10-12-24-11-8-17(23-24)16-6-3-4-9-21-16/h1-9,11,13H,10,12H2,(H,22,25)
InChIKeySMRCGLCGMZMXDV-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.48
Rot. Bonds5

About 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide

2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide (PubChem CID 71807939) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
PubChem CID71807939
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N4O3/c25-19(15-13-14-5-1-2-7-18(14)27-20(15)26)22-10-12-24-11-8-17(23-24)16-6-3-4-9-21-16/h1-9,11,13H,10,12H2,(H,22,25)
InChIKeySMRCGLCGMZMXDV-UHFFFAOYSA-N
XLogP2.48
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
5-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 71807997
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588267
2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588310
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119929
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 90588269
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 90516061
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
4-phenoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588364

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide (CID 71807939) is 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide is O=C(NCCn1ccc(-c2ccccn2)n1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide?
The InChIKey is SMRCGLCGMZMXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-19(15-13-14-5-1-2-7-18(14)27-20(15)26)22-10-12-24-11-8-17(23-24)16-6-3-4-9-21-16/h1-9,11,13H,10,12H2,(H,22,25).
What are the key properties of 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide?
2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 71807939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).