methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate

C19H21FN4O5 — CID 59771050

IUPACmethyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C19H21FN4O5/c1-23(19(28)29-2)13-4-3-9-24-16(13)22-14(15(25)18(24)27)17(26)21-10-11-5-7-12(20)8-6-11/h5-8,13,25H,3-4,9-10H2,1-2H3,(H,21,26)
InChIKeySRAUYGNQEZYTEV-UHFFFAOYSA-N
MW404.40 g/mol
LogP1.55
Rot. Bonds4

About methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate

methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate (PubChem CID 59771050) has the molecular formula C19H21FN4O5 and a molecular weight of 404.40 g/mol. Its IUPAC name is methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate
PubChem CID59771050
Molecular FormulaC19H21FN4O5
Molecular Weight404.40 g/mol
Exact Mass404.15
IUPAC Namemethyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C19H21FN4O5/c1-23(19(28)29-2)13-4-3-9-24-16(13)22-14(15(25)18(24)27)17(26)21-10-11-5-7-12(20)8-6-11/h5-8,13,25H,3-4,9-10H2,1-2H3,(H,21,26)
InChIKeySRAUYGNQEZYTEV-UHFFFAOYSA-N
XLogP1.55
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate (CID 59771050) is methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate is COC(=O)N(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O.
What is the InChIKey of methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate?
The InChIKey is SRAUYGNQEZYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O5/c1-23(19(28)29-2)13-4-3-9-24-16(13)22-14(15(25)18(24)27)17(26)21-10-11-5-7-12(20)8-6-11/h5-8,13,25H,3-4,9-10H2,1-2H3,(H,21,26).
What are the key properties of methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate?
methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate has a molecular weight of 404.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N-methylcarbamate is sourced from PubChem (CID 59771050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).