7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide

C19H19N3O3 — CID 658314

IUPAC7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
InChIInChI=1S/C19H19N3O3/c1-3-22(4-2)14-9-8-13-11-15(19(24)25-16(13)12-14)18(23)21-17-7-5-6-10-20-17/h5-12H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyBQHCBHGIMFAGFX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.29
Rot. Bonds5

About 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide

7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 658314) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID658314
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
InChIInChI=1S/C19H19N3O3/c1-3-22(4-2)14-9-8-13-11-15(19(24)25-16(13)12-14)18(23)21-17-7-5-6-10-20-17/h5-12H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyBQHCBHGIMFAGFX-UHFFFAOYSA-N
XLogP3.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide (CID 658314) is 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is BQHCBHGIMFAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-22(4-2)14-9-8-13-11-15(19(24)25-16(13)12-14)18(23)21-17-7-5-6-10-20-17/h5-12H,3-4H2,1-2H3,(H,20,21,23).
What are the key properties of 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide?
7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-oxo-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 658314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).