ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate

C27H29N3O5 — CID 121394846

IUPACethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C27H29N3O5/c1-3-34-27(32)17(2)28-20-7-8-24-19(14-20)13-18-5-4-6-22(26(18)35-24)23-15-21(16-25(31)29-23)30-9-11-33-12-10-30/h4-8,14-17,28H,3,9-13H2,1-2H3,(H,29,31)
InChIKeyCTRKEXBLVQGRAI-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.94
Rot. Bonds6

About ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate

ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate (PubChem CID 121394846) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate
PubChem CID121394846
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Nameethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C27H29N3O5/c1-3-34-27(32)17(2)28-20-7-8-24-19(14-20)13-18-5-4-6-22(26(18)35-24)23-15-21(16-25(31)29-23)30-9-11-33-12-10-30/h4-8,14-17,28H,3,9-13H2,1-2H3,(H,29,31)
InChIKeyCTRKEXBLVQGRAI-UHFFFAOYSA-N
XLogP3.94
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate with MolForge

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Related Compounds

6-[7-[1-(2-methoxypyrimidin-4-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121467620
6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394347
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-[[5-(propan-2-ylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467887
4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784
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-[(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-[[6-(methylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393969
tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate
CID 121394579

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate (CID 121394846) is ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate is CCOC(=O)C(C)Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.
What is the InChIKey of ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate?
The InChIKey is CTRKEXBLVQGRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-3-34-27(32)17(2)28-20-7-8-24-19(14-20)13-18-5-4-6-22(26(18)35-24)23-15-21(16-25(31)29-23)30-9-11-33-12-10-30/h4-8,14-17,28H,3,9-13H2,1-2H3,(H,29,31).
What are the key properties of ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate?
ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate has a molecular weight of 475.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate is sourced from PubChem (CID 121394846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).