5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide

C23H40N6O2+2 — CID 7263419

IUPAC5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCC[NH+]2CCCCC2)CC[NH+]2CCCCC2)cn1
InChIInChI=1S/C23H38N6O2/c1-20-18-26-21(19-25-20)23(31)29(17-16-28-12-6-3-7-13-28)14-8-22(30)24-9-15-27-10-4-2-5-11-27/h18-19H,2-17H2,1H3,(H,24,30)/p+2
InChIKeyLJTYMVUTHVKDKC-UHFFFAOYSA-P
MW432.61 g/mol
LogP-1.13
Rot. Bonds10

About 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide

5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide (PubChem CID 7263419) has the molecular formula C23H40N6O2+2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide
PubChem CID7263419
Molecular FormulaC23H40N6O2+2
Molecular Weight432.61 g/mol
Exact Mass432.32
IUPAC Name5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCC[NH+]2CCCCC2)CC[NH+]2CCCCC2)cn1
InChIInChI=1S/C23H38N6O2/c1-20-18-26-21(19-25-20)23(31)29(17-16-28-12-6-3-7-13-28)14-8-22(30)24-9-15-27-10-4-2-5-11-27/h18-19H,2-17H2,1H3,(H,24,30)/p+2
InChIKeyLJTYMVUTHVKDKC-UHFFFAOYSA-P
XLogP-1.13
TPSA84.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
5-methyl-N-(2-methylpropyl)-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3363056
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7249269
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7271625
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 4136501
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237889
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237890

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide (CID 7263419) is 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NCC[NH+]2CCCCC2)CC[NH+]2CCCCC2)cn1.
What is the InChIKey of 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide?
The InChIKey is LJTYMVUTHVKDKC-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H38N6O2/c1-20-18-26-21(19-25-20)23(31)29(17-16-28-12-6-3-7-13-28)14-8-22(30)24-9-15-27-10-4-2-5-11-27/h18-19H,2-17H2,1H3,(H,24,30)/p+2.
What are the key properties of 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide?
5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide has a molecular weight of 432.61 g/mol, XLogP of -1.13, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 7263419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).