9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

C18H21FN4O3 — CID 54682231

IUPAC9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C18H21FN4O3/c1-22(2)13-4-3-9-23-16(13)21-14(15(24)18(23)26)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,20,25)
InChIKeyXFHBIVGPLRBAGI-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.41
Rot. Bonds4

About 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54682231) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54682231
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C18H21FN4O3/c1-22(2)13-4-3-9-23-16(13)21-14(15(24)18(23)26)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,20,25)
InChIKeyXFHBIVGPLRBAGI-UHFFFAOYSA-N
XLogP1.41
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135598715
2-benzyl-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135601655
2-(dimethylaminomethyl)-N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 135601684
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-methylpyrimidine-4-carboxamide
CID 135602046
N-benzyl-5,6-dihydroxy-2-phenylpyrimidine-4-carboxamide
CID 135602092
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

Frequently Asked Questions

What is the IUPAC name of 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 54682231) is 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is CN(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O.
What is the InChIKey of 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is XFHBIVGPLRBAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-22(2)13-4-3-9-23-16(13)21-14(15(24)18(23)26)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,20,25).
What are the key properties of 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54682231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).