N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide

C23H24FN5O5 — CID 54730644

IUPACN'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide
SMILESCCCN(C(=O)C(=O)N(C)C)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C23H24FN5O5/c1-4-11-28(23(34)22(33)27(2)3)16-6-5-12-29-19(16)26-17(18(30)21(29)32)20(31)25-13-14-7-9-15(24)10-8-14/h5-10,12,30H,4,11,13H2,1-3H3,(H,25,31)
InChIKeyUINLNNHMBXVCDU-UHFFFAOYSA-N
MW469.47 g/mol
LogP1.30
Rot. Bonds6

About N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide

N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide (PubChem CID 54730644) has the molecular formula C23H24FN5O5 and a molecular weight of 469.47 g/mol. Its IUPAC name is N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide.

Molecular Properties

Compound NameN'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide
PubChem CID54730644
Molecular FormulaC23H24FN5O5
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC NameN'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide
SMILESCCCN(C(=O)C(=O)N(C)C)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C23H24FN5O5/c1-4-11-28(23(34)22(33)27(2)3)16-6-5-12-29-19(16)26-17(18(30)21(29)32)20(31)25-13-14-7-9-15(24)10-8-14/h5-10,12,30H,4,11,13H2,1-3H3,(H,25,31)
InChIKeyUINLNNHMBXVCDU-UHFFFAOYSA-N
XLogP1.30
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide?
The IUPAC name of N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide (CID 54730644) is N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide.
What is the SMILES notation for N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide?
The canonical SMILES for N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide is CCCN(C(=O)C(=O)N(C)C)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide?
The InChIKey is UINLNNHMBXVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O5/c1-4-11-28(23(34)22(33)27(2)3)16-6-5-12-29-19(16)26-17(18(30)21(29)32)20(31)25-13-14-7-9-15(24)10-8-14/h5-10,12,30H,4,11,13H2,1-3H3,(H,25,31).
What are the key properties of N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide?
N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide has a molecular weight of 469.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyloxamide is sourced from PubChem (CID 54730644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).