N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide

C19H23FN4O3 — CID 54677580

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C19H23FN4O3/c1-23-10-4-3-5-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-11-12-6-8-13(20)9-7-12/h6-9,14,25H,3-5,10-11H2,1-2H3,(H,21,26)
InChIKeyHGPPRMHXEAZMCS-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.71
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54677580) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54677580
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C19H23FN4O3/c1-23-10-4-3-5-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-11-12-6-8-13(20)9-7-12/h6-9,14,25H,3-5,10-11H2,1-2H3,(H,21,26)
InChIKeyHGPPRMHXEAZMCS-UHFFFAOYSA-N
XLogP1.71
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide (CID 54677580) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide is CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is HGPPRMHXEAZMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-23-10-4-3-5-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-11-12-6-8-13(20)9-7-12/h6-9,14,25H,3-5,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).