5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

C22H30N4O2 — CID 4150125

IUPAC5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCCC(C)C)CCc2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-17(2)9-12-23-21(27)11-14-26(13-10-19-7-5-4-6-8-19)22(28)20-16-24-18(3)15-25-20/h4-8,15-17H,9-14H2,1-3H3,(H,23,27)
InChIKeyBAPPZSUJBBILMN-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.02
Rot. Bonds10

About 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 4150125) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID4150125
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCCC(C)C)CCc2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-17(2)9-12-23-21(27)11-14-26(13-10-19-7-5-4-6-8-19)22(28)20-16-24-18(3)15-25-20/h4-8,15-17H,9-14H2,1-3H3,(H,23,27)
InChIKeyBAPPZSUJBBILMN-UHFFFAOYSA-N
XLogP3.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
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
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 3307273
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
5-methyl-N-(2-methylpropyl)-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3363056
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 4150125) is 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NCCC(C)C)CCc2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is BAPPZSUJBBILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(2)9-12-23-21(27)11-14-26(13-10-19-7-5-4-6-8-19)22(28)20-16-24-18(3)15-25-20/h4-8,15-17H,9-14H2,1-3H3,(H,23,27).
What are the key properties of 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 4150125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).