N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide

C20H34N5O2+ — CID 7226719

IUPACN-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC[NH+]1CCN(C(=O)CCN(CCC(C)C)C(=O)c2cnc(C)cn2)CC1
InChIInChI=1S/C20H33N5O2/c1-5-23-10-12-24(13-11-23)19(26)7-9-25(8-6-16(2)3)20(27)18-15-21-17(4)14-22-18/h14-16H,5-13H2,1-4H3/p+1
InChIKeyNZNVTWONAPDKSX-UHFFFAOYSA-O
MW376.53 g/mol
LogP0.41
Rot. Bonds8

About N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide

N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide (PubChem CID 7226719) has the molecular formula C20H34N5O2+ and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
PubChem CID7226719
Molecular FormulaC20H34N5O2+
Molecular Weight376.53 g/mol
Exact Mass376.27
IUPAC NameN-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC[NH+]1CCN(C(=O)CCN(CCC(C)C)C(=O)c2cnc(C)cn2)CC1
InChIInChI=1S/C20H33N5O2/c1-5-23-10-12-24(13-11-23)19(26)7-9-25(8-6-16(2)3)20(27)18-15-21-17(4)14-22-18/h14-16H,5-13H2,1-4H3/p+1
InChIKeyNZNVTWONAPDKSX-UHFFFAOYSA-O
XLogP0.41
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 42783067
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 5151128
N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 42782929
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4091593
N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4168241
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7271625

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide (CID 7226719) is N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide is CC[NH+]1CCN(C(=O)CCN(CCC(C)C)C(=O)c2cnc(C)cn2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
The InChIKey is NZNVTWONAPDKSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H33N5O2/c1-5-23-10-12-24(13-11-23)19(26)7-9-25(8-6-16(2)3)20(27)18-15-21-17(4)14-22-18/h14-16H,5-13H2,1-4H3/p+1.
What are the key properties of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 7226719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).