2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide

C28H32N4O4 — CID 121394521

IUPAC2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1cccc2c1Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C28H32N4O4/c1-3-31(4-2)18-27(34)29-23-9-6-10-25-22(23)15-19-7-5-8-21(28(19)36-25)24-16-20(17-26(33)30-24)32-11-13-35-14-12-32/h5-10,16-17H,3-4,11-15,18H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyWBQMDIVQNARNGQ-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.86
Rot. Bonds7

About 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide

2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide (PubChem CID 121394521) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide
PubChem CID121394521
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1cccc2c1Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C28H32N4O4/c1-3-31(4-2)18-27(34)29-23-9-6-10-25-22(23)15-19-7-5-8-21(28(19)36-25)24-16-20(17-26(33)30-24)32-11-13-35-14-12-32/h5-10,16-17H,3-4,11-15,18H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyWBQMDIVQNARNGQ-UHFFFAOYSA-N
XLogP3.86
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide with MolForge

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Related Compounds

ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate
CID 121394846
6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394968
4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
6-[7-[[6-(methylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393969
6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395163
6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394781
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784
6-[7-[(6-chloro-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468024
6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394269
4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394561
6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394347
4-morpholin-4-yl-6-[7-[[5-(propan-2-ylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467887

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide (CID 121394521) is 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide is CCN(CC)CC(=O)Nc1cccc2c1Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.
What is the InChIKey of 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide?
The InChIKey is WBQMDIVQNARNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-3-31(4-2)18-27(34)29-23-9-6-10-25-22(23)15-19-7-5-8-21(28(19)36-25)24-16-20(17-26(33)30-24)32-11-13-35-14-12-32/h5-10,16-17H,3-4,11-15,18H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide?
2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-1-yl]acetamide is sourced from PubChem (CID 121394521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).