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

C18H14F3N3O2 — CID 60551053

IUPAC8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)cnc2c1
InChIInChI=1S/C18H14F3N3O2/c1-10-5-6-24-15(7-10)22-9-13(17(24)26)16(25)23-12-4-3-11(2)14(8-12)18(19,20)21/h3-9H,1-2H3,(H,23,25)
InChIKeyRQLHNMNOAPFBSE-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.58
Rot. Bonds2

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

8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60551053) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60551053
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)cnc2c1
InChIInChI=1S/C18H14F3N3O2/c1-10-5-6-24-15(7-10)22-9-13(17(24)26)16(25)23-12-4-3-11(2)14(8-12)18(19,20)21/h3-9H,1-2H3,(H,23,25)
InChIKeyRQLHNMNOAPFBSE-UHFFFAOYSA-N
XLogP3.58
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 60551053) is 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)cnc2c1.
What is the InChIKey of 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RQLHNMNOAPFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-5-6-24-15(7-10)22-9-13(17(24)26)16(25)23-12-4-3-11(2)14(8-12)18(19,20)21/h3-9H,1-2H3,(H,23,25).
What are the key properties of 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60551053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).