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

C18H21FN4O3 — CID 135446290

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C18H21FN4O3/c1-23-9-3-2-4-13(23)16-21-14(15(24)18(26)22-16)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,2-4,9-10H2,1H3,(H,20,25)(H,21,22,26)
InChIKeyKPXYCCGYCRCUCJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.70
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135446290) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135446290
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C18H21FN4O3/c1-23-9-3-2-4-13(23)16-21-14(15(24)18(26)22-16)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,2-4,9-10H2,1H3,(H,20,25)(H,21,22,26)
InChIKeyKPXYCCGYCRCUCJ-UHFFFAOYSA-N
XLogP1.70
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 135446290) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is KPXYCCGYCRCUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-23-9-3-2-4-13(23)16-21-14(15(24)18(26)22-16)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,2-4,9-10H2,1H3,(H,20,25)(H,21,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-methylpiperidin-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).