7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide

C21H22N4O3 — CID 162659675

IUPAC7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)N/N=C(/C)c3cccnc3)c(=O)oc2c1
InChIInChI=1S/C21H22N4O3/c1-4-25(5-2)17-9-8-15-11-18(21(27)28-19(15)12-17)20(26)24-23-14(3)16-7-6-10-22-13-16/h6-13H,4-5H2,1-3H3,(H,24,26)/b23-14-
InChIKeyXGCQKURVCVFTNJ-UCQKPKSFSA-N
MW378.43 g/mol
LogP3.19
Rot. Bonds6

About 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide

7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide (PubChem CID 162659675) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide
PubChem CID162659675
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)N/N=C(/C)c3cccnc3)c(=O)oc2c1
InChIInChI=1S/C21H22N4O3/c1-4-25(5-2)17-9-8-15-11-18(21(27)28-19(15)12-17)20(26)24-23-14(3)16-7-6-10-22-13-16/h6-13H,4-5H2,1-3H3,(H,24,26)/b23-14-
InChIKeyXGCQKURVCVFTNJ-UCQKPKSFSA-N
XLogP3.19
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide (CID 162659675) is 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)N/N=C(/C)c3cccnc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide?
The InChIKey is XGCQKURVCVFTNJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-25(5-2)17-9-8-15-11-18(21(27)28-19(15)12-17)20(26)24-23-14(3)16-7-6-10-22-13-16/h6-13H,4-5H2,1-3H3,(H,24,26)/b23-14-.
What are the key properties of 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide?
7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-oxo-N-[(Z)-1-pyridin-3-ylethylideneamino]chromene-3-carboxamide is sourced from PubChem (CID 162659675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).