7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide

C23H26N4O4 — CID 645423

IUPAC7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1
InChIInChI=1S/C23H26N4O4/c1-3-26(4-2)17-8-7-16-14-18(23(29)31-20(16)15-17)22(28)25-19-6-5-9-24-21(19)27-10-12-30-13-11-27/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,28)
InChIKeyWCEPAYJWWZSGES-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.12
Rot. Bonds6

About 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide

7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 645423) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID645423
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1
InChIInChI=1S/C23H26N4O4/c1-3-26(4-2)17-8-7-16-14-18(23(29)31-20(16)15-17)22(28)25-19-6-5-9-24-21(19)27-10-12-30-13-11-27/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,28)
InChIKeyWCEPAYJWWZSGES-UHFFFAOYSA-N
XLogP3.12
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide (CID 645423) is 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is WCEPAYJWWZSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-26(4-2)17-8-7-16-14-18(23(29)31-20(16)15-17)22(28)25-19-6-5-9-24-21(19)27-10-12-30-13-11-27/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,28).
What are the key properties of 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 645423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).