N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

C24H34N5O2+ — CID 7419199

IUPACN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C24H33N5O2/c1-3-12-29(24(31)22-17-25-19(2)16-26-22)15-11-23(30)27-21-9-13-28(14-10-21)18-20-7-5-4-6-8-20/h4-8,16-17,21H,3,9-15,18H2,1-2H3,(H,27,30)/p+1
InChIKeyINJYCUGFUHPGKU-UHFFFAOYSA-O
MW424.57 g/mol
LogP1.39
Rot. Bonds9

About N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (PubChem CID 7419199) has the molecular formula C24H34N5O2+ and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
PubChem CID7419199
Molecular FormulaC24H34N5O2+
Molecular Weight424.57 g/mol
Exact Mass424.27
IUPAC NameN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C24H33N5O2/c1-3-12-29(24(31)22-17-25-19(2)16-26-22)15-11-23(30)27-21-9-13-28(14-10-21)18-20-7-5-4-6-8-20/h4-8,16-17,21H,3,9-15,18H2,1-2H3,(H,27,30)/p+1
InChIKeyINJYCUGFUHPGKU-UHFFFAOYSA-O
XLogP1.39
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 7261485
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 816538
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 4136501
5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
CID 4170520
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-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7230966

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (CID 7419199) is N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is CCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The InChIKey is INJYCUGFUHPGKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N5O2/c1-3-12-29(24(31)22-17-25-19(2)16-26-22)15-11-23(30)27-21-9-13-28(14-10-21)18-20-7-5-4-6-8-20/h4-8,16-17,21H,3,9-15,18H2,1-2H3,(H,27,30)/p+1.
What are the key properties of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 7419199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).