3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C54H62N8O7 — CID 157456474

IUPAC3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCN(C)CCC(=O)Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.CN(C)CCCNc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C27H30N4O4.C27H32N4O3/c1-30(2)9-8-25(32)28-20-6-7-24-19(15-20)14-18-4-3-5-22(27(18)35-24)23-16-21(17-26(33)29-23)31-10-12-34-13-11-31;1-30(2)10-4-9-28-21-7-8-25-20(16-21)15-19-5-3-6-23(27(19)34-25)24-17-22(18-26(32)29-24)31-11-13-33-14-12-31/h3-7,15-17H,8-14H2,1-2H3,(H,28,32)(H,29,33);3,5-8,16-18,28H,4,9-15H2,1-2H3,(H,29,32)
InChIKeyBTKJOLNFCSMIES-UHFFFAOYSA-N
MW935.14 g/mol
LogP7.40
Rot. Bonds13

About 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 157456474) has the molecular formula C54H62N8O7 and a molecular weight of 935.14 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID157456474
Molecular FormulaC54H62N8O7
Molecular Weight935.14 g/mol
Exact Mass934.47
IUPAC Name3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCN(C)CCC(=O)Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.CN(C)CCCNc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C27H30N4O4.C27H32N4O3/c1-30(2)9-8-25(32)28-20-6-7-24-19(15-20)14-18-4-3-5-22(27(18)35-24)23-16-21(17-26(33)29-23)31-10-12-34-13-11-31;1-30(2)10-4-9-28-21-7-8-25-20(16-21)15-19-5-3-6-23(27(19)34-25)24-17-22(18-26(32)29-24)31-11-13-33-14-12-31/h3-7,15-17H,8-14H2,1-2H3,(H,28,32)(H,29,33);3,5-8,16-18,28H,4,9-15H2,1-2H3,(H,29,32)
InChIKeyBTKJOLNFCSMIES-UHFFFAOYSA-N
XLogP7.40
TPSA156.73 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.14
LogP ≤ 57.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one with MolForge

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Related Compounds

N-(2-(7-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)piperazin-2-yl)methoxy)-2,3,4,4a-tetrahydroquinolin-1(8aH)-yl)ethyl)acetamide
CID 52949576
N-[4-[2-[(2-methoxyphenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
CID 10074959
(2E)-N-[4-(2-morpholin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 11158046
(2Z)-N-[4-(2-morpholin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 11422370
N-[4-(2-morpholin-4-ylethoxy)-3-(trifluoromethyl)phenyl]-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 72955458
3-fluoro-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
CID 121394024
3-[2-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394148
4-[2-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394151
6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394153
6-[3-fluoro-7-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394184
6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394202
3-[2-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394293

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 157456474) is 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is CN(C)CCC(=O)Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.CN(C)CCCNc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.
What is the InChIKey of 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is BTKJOLNFCSMIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4.C27H32N4O3/c1-30(2)9-8-25(32)28-20-6-7-24-19(15-20)14-18-4-3-5-22(27(18)35-24)23-16-21(17-26(33)29-23)31-10-12-34-13-11-31;1-30(2)10-4-9-28-21-7-8-25-20(16-21)15-19-5-3-6-23(27(19)34-25)24-17-22(18-26(32)29-24)31-11-13-33-14-12-31/h3-7,15-17H,8-14H2,1-2H3,(H,28,32)(H,29,33);3,5-8,16-18,28H,4,9-15H2,1-2H3,(H,29,32).
What are the key properties of 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 935.14 g/mol, XLogP of 7.40, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]propanamide;6-[7-[3-(dimethylamino)propylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 157456474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).