N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C22H24ClN3O4 — CID 146442123

IUPACN-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOCC1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C22H24ClN3O4/c1-30-14-22(8-9-22)13-25-10-11-26-18(21(25)29)7-6-17(20(26)28)19(27)24-12-15-2-4-16(23)5-3-15/h2-7H,8-14H2,1H3,(H,24,27)
InChIKeyLIDMOTMUPKLTME-UHFFFAOYSA-N
MW429.90 g/mol
LogP2.31
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146442123) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146442123
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOCC1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C22H24ClN3O4/c1-30-14-22(8-9-22)13-25-10-11-26-18(21(25)29)7-6-17(20(26)28)19(27)24-12-15-2-4-16(23)5-3-15/h2-7H,8-14H2,1H3,(H,24,27)
InChIKeyLIDMOTMUPKLTME-UHFFFAOYSA-N
XLogP2.31
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146442123) is N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is COCC1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is LIDMOTMUPKLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-30-14-22(8-9-22)13-25-10-11-26-18(21(25)29)7-6-17(20(26)28)19(27)24-12-15-2-4-16(23)5-3-15/h2-7H,8-14H2,1H3,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 429.90 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146442123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).