N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide

C19H18F3N3O3 — CID 118084106

IUPACN-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide
SMILESCc1cc(CN2C(=O)c3ccc(NC=O)c(=O)n3CC2C)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O3/c1-11-5-13(7-14(6-11)19(20,21)22)9-24-12(2)8-25-16(18(24)28)4-3-15(17(25)27)23-10-26/h3-7,10,12H,8-9H2,1-2H3,(H,23,26)
InChIKeyCCNQXKVGNSHNOR-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.79
Rot. Bonds4

About N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide

N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide (PubChem CID 118084106) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide.

Molecular Properties

Compound NameN-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide
PubChem CID118084106
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide
SMILESCc1cc(CN2C(=O)c3ccc(NC=O)c(=O)n3CC2C)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O3/c1-11-5-13(7-14(6-11)19(20,21)22)9-24-12(2)8-25-16(18(24)28)4-3-15(17(25)27)23-10-26/h3-7,10,12H,8-9H2,1-2H3,(H,23,26)
InChIKeyCCNQXKVGNSHNOR-UHFFFAOYSA-N
XLogP2.79
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide?
The IUPAC name of N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide (CID 118084106) is N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide.
What is the SMILES notation for N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide?
The canonical SMILES for N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide is Cc1cc(CN2C(=O)c3ccc(NC=O)c(=O)n3CC2C)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide?
The InChIKey is CCNQXKVGNSHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-11-5-13(7-14(6-11)19(20,21)22)9-24-12(2)8-25-16(18(24)28)4-3-15(17(25)27)23-10-26/h3-7,10,12H,8-9H2,1-2H3,(H,23,26).
What are the key properties of N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide?
N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide has a molecular weight of 393.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]formamide is sourced from PubChem (CID 118084106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).