(4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C25H33N3O6 — CID 88613018

IUPAC(4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCCCOc1c2n(cc(C(=O)N(C)OC)c1=O)[C@@H](Cc1ccccc1)CN(CCOC)C2=O
InChIInChI=1S/C25H33N3O6/c1-5-6-13-34-23-21-25(31)27(12-14-32-3)16-19(15-18-10-8-7-9-11-18)28(21)17-20(22(23)29)24(30)26(2)33-4/h7-11,17,19H,5-6,12-16H2,1-4H3/t19-/m0/s1
InChIKeyXQBWNMHJUIYPQB-IBGZPJMESA-N
MW471.55 g/mol
LogP2.55
Rot. Bonds11

About (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

(4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 88613018) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID88613018
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Name(4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCCCOc1c2n(cc(C(=O)N(C)OC)c1=O)[C@@H](Cc1ccccc1)CN(CCOC)C2=O
InChIInChI=1S/C25H33N3O6/c1-5-6-13-34-23-21-25(31)27(12-14-32-3)16-19(15-18-10-8-7-9-11-18)28(21)17-20(22(23)29)24(30)26(2)33-4/h7-11,17,19H,5-6,12-16H2,1-4H3/t19-/m0/s1
InChIKeyXQBWNMHJUIYPQB-IBGZPJMESA-N
XLogP2.55
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

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CID 66596616
CID 66596616
CID 66596618
CID 66596618
CID 67743049
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CID 70824094
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CID 70877523
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CID 90362427
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CID 118183891
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CID 118183935
CID 118183935

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 88613018) is (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CCCCOc1c2n(cc(C(=O)N(C)OC)c1=O)[C@@H](Cc1ccccc1)CN(CCOC)C2=O.
What is the InChIKey of (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is XQBWNMHJUIYPQB-IBGZPJMESA-N. The full InChI is InChI=1S/C25H33N3O6/c1-5-6-13-34-23-21-25(31)27(12-14-32-3)16-19(15-18-10-8-7-9-11-18)28(21)17-20(22(23)29)24(30)26(2)33-4/h7-11,17,19H,5-6,12-16H2,1-4H3/t19-/m0/s1.
What are the key properties of (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
(4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 2.55, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-9-butoxy-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 88613018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).