9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C24H24FN5O6 — CID 54730647

IUPAC9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)C(=O)N1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C24H24FN5O6/c1-2-29(24(35)23(34)28-10-12-36-13-11-28)17-4-3-9-30-20(17)27-18(19(31)22(30)33)21(32)26-14-15-5-7-16(25)8-6-15/h3-9,31H,2,10-14H2,1H3,(H,26,32)
InChIKeyMABLQILTRUMWKO-UHFFFAOYSA-N
MW497.48 g/mol
LogP0.68
Rot. Bonds5

About 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730647) has the molecular formula C24H24FN5O6 and a molecular weight of 497.48 g/mol. Its IUPAC name is 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730647
Molecular FormulaC24H24FN5O6
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)C(=O)N1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C24H24FN5O6/c1-2-29(24(35)23(34)28-10-12-36-13-11-28)17-4-3-9-30-20(17)27-18(19(31)22(30)33)21(32)26-14-15-5-7-16(25)8-6-15/h3-9,31H,2,10-14H2,1H3,(H,26,32)
InChIKeyMABLQILTRUMWKO-UHFFFAOYSA-N
XLogP0.68
TPSA133.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677477
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
Dihydroxypyrimidine carboxamide, 3
CID 135446231
2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135446244
2-[(dimethylamino)(phenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135446276
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(1-methyl-2-piperidyl)pyrimidine-4-carboxamide
CID 135446290
2-(dimethylaminomethyl)-N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 135601684
N-[(4-fluoro-3-methyl-phenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717378
2-[1-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135771894
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)morpholine-4-carboxylate
CID 54677508
2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677537

Frequently Asked Questions

What is the IUPAC name of 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730647) is 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CCN(C(=O)C(=O)N1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MABLQILTRUMWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O6/c1-2-29(24(35)23(34)28-10-12-36-13-11-28)17-4-3-9-30-20(17)27-18(19(31)22(30)33)21(32)26-14-15-5-7-16(25)8-6-15/h3-9,31H,2,10-14H2,1H3,(H,26,32).
What are the key properties of 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[ethyl-(2-morpholin-4-yl-2-oxoacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).