copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

C20H21CuN3O3 — CID 159081950

IUPACcopper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCc3ccccn3)c(=O)oc2c1.[Cu]
InChIInChI=1S/C20H21N3O3.Cu/c1-3-23(4-2)16-9-8-14-11-17(20(25)26-18(14)12-16)19(24)22-13-15-7-5-6-10-21-15;/h5-12H,3-4,13H2,1-2H3,(H,22,24);
InChIKeyKAYVCVJLJFJNBI-UHFFFAOYSA-N
MW414.95 g/mol
LogP2.96
Rot. Bonds6

About copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 159081950) has the molecular formula C20H21CuN3O3 and a molecular weight of 414.95 g/mol. Its IUPAC name is copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Namecopper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
PubChem CID159081950
Molecular FormulaC20H21CuN3O3
Molecular Weight414.95 g/mol
Exact Mass414.09
IUPAC Namecopper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCc3ccccn3)c(=O)oc2c1.[Cu]
InChIInChI=1S/C20H21N3O3.Cu/c1-3-23(4-2)16-9-8-14-11-17(20(25)26-18(14)12-16)19(24)22-13-15-7-5-6-10-21-15;/h5-12H,3-4,13H2,1-2H3,(H,22,24);
InChIKeyKAYVCVJLJFJNBI-UHFFFAOYSA-N
XLogP2.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.95
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)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

Related Compounds

7-(diethylamino)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]chromene-3-carboxamide
CID 3231416
7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one
CID 101475092
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-N-[2-(hexanoylamino)ethyl]-2-oxochromene-3-carboxamide
CID 146294501
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 177467285
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
CID 5452614
7-(diethylamino)-N-[5-(methylamino)-6-oxoheptyl]-2-oxochromene-3-carboxamide
CID 58473750
deuterium monohydride;7-(diethylamino)-2-oxochromene-3-carboxylic acid;7-(diethylamino)-2-oxo-N-(3-triethoxysilylpropyl)chromene-3-carboxamide
CID 162027729
7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
CID 54453751
N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672

Frequently Asked Questions

What is the IUPAC name of copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 159081950) is copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)NCc3ccccn3)c(=O)oc2c1.[Cu].
What is the InChIKey of copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is KAYVCVJLJFJNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.Cu/c1-3-23(4-2)16-9-8-14-11-17(20(25)26-18(14)12-16)19(24)22-13-15-7-5-6-10-21-15;/h5-12H,3-4,13H2,1-2H3,(H,22,24);.
What are the key properties of copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 414.95 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 159081950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).