N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H20FN3O2 — CID 46976397

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC(C)(C)c3cccc(F)c3)cnc12
InChIInChI=1S/C20H20FN3O2/c1-13-6-5-9-24-17(13)22-11-16(19(24)26)18(25)23-12-20(2,3)14-7-4-8-15(21)10-14/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyWPUWXLCYNHLLBL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46976397) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46976397
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC(C)(C)c3cccc(F)c3)cnc12
InChIInChI=1S/C20H20FN3O2/c1-13-6-5-9-24-17(13)22-11-16(19(24)26)18(25)23-12-20(2,3)14-7-4-8-15(21)10-14/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyWPUWXLCYNHLLBL-UHFFFAOYSA-N
XLogP2.85
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46976397) is N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCC(C)(C)c3cccc(F)c3)cnc12.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WPUWXLCYNHLLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-6-5-9-24-17(13)22-11-16(19(24)26)18(25)23-12-20(2,3)14-7-4-8-15(21)10-14/h4-11H,12H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46976397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).