2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C22H25N3O4 — CID 157161218

IUPAC2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOC1(CN2CCn3c(ccc(C(=O)NCc4ccc(C)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C22H25N3O4/c1-15-3-5-16(6-4-15)13-23-19(26)17-7-8-18-21(28)24(11-12-25(18)20(17)27)14-22(29-2)9-10-22/h3-8H,9-14H2,1-2H3,(H,23,26)
InChIKeyNXKOQYHQSOGLMZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.72
Rot. Bonds6

About 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 157161218) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID157161218
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOC1(CN2CCn3c(ccc(C(=O)NCc4ccc(C)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C22H25N3O4/c1-15-3-5-16(6-4-15)13-23-19(26)17-7-8-18-21(28)24(11-12-25(18)20(17)27)14-22(29-2)9-10-22/h3-8H,9-14H2,1-2H3,(H,23,26)
InChIKeyNXKOQYHQSOGLMZ-UHFFFAOYSA-N
XLogP1.72
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 157161218) is 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is COC1(CN2CCn3c(ccc(C(=O)NCc4ccc(C)cc4)c3=O)C2=O)CC1.
What is the InChIKey of 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is NXKOQYHQSOGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-3-5-16(6-4-15)13-23-19(26)17-7-8-18-21(28)24(11-12-25(18)20(17)27)14-22(29-2)9-10-22/h3-8H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 157161218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).