5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

C24H33N5O3 — CID 42783038

IUPAC5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCCCN2CCOCC2)CCc2ccccc2)cn1
InChIInChI=1S/C24H33N5O3/c1-20-18-27-22(19-26-20)24(31)29(12-8-21-6-3-2-4-7-21)13-9-23(30)25-10-5-11-28-14-16-32-17-15-28/h2-4,6-7,18-19H,5,8-17H2,1H3,(H,25,30)
InChIKeyQWFXSZZQXJWTQH-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.70
Rot. Bonds11

About 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 42783038) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID42783038
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCCCN2CCOCC2)CCc2ccccc2)cn1
InChIInChI=1S/C24H33N5O3/c1-20-18-27-22(19-26-20)24(31)29(12-8-21-6-3-2-4-7-21)13-9-23(30)25-10-5-11-28-14-16-32-17-15-28/h2-4,6-7,18-19H,5,8-17H2,1H3,(H,25,30)
InChIKeyQWFXSZZQXJWTQH-UHFFFAOYSA-N
XLogP1.70
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 3307273
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4174718
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 1026200
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 42783038) is 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NCCCN2CCOCC2)CCc2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is QWFXSZZQXJWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-20-18-27-22(19-26-20)24(31)29(12-8-21-6-3-2-4-7-21)13-9-23(30)25-10-5-11-28-14-16-32-17-15-28/h2-4,6-7,18-19H,5,8-17H2,1H3,(H,25,30).
What are the key properties of 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 1.70, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42783038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).