N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H14FN3O3 — CID 135681005

IUPACN-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)nc2c1
InChIInChI=1S/C17H14FN3O3/c1-10-6-7-21-13(8-10)20-16(23)14(17(21)24)15(22)19-9-11-2-4-12(18)5-3-11/h2-8,23H,9H2,1H3,(H,19,22)
InChIKeyJXZGUTOOTWCIPU-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681005) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681005
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)nc2c1
InChIInChI=1S/C17H14FN3O3/c1-10-6-7-21-13(8-10)20-16(23)14(17(21)24)15(22)19-9-11-2-4-12(18)5-3-11/h2-8,23H,9H2,1H3,(H,19,22)
InChIKeyJXZGUTOOTWCIPU-UHFFFAOYSA-N
XLogP1.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681005) is N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)nc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JXZGUTOOTWCIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-10-6-7-21-13(8-10)20-16(23)14(17(21)24)15(22)19-9-11-2-4-12(18)5-3-11/h2-8,23H,9H2,1H3,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).