N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide

C20H33N5O3 — CID 42783353

IUPACN-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOCCN(CCC(=O)NCCCN1CCCCC1C)C(=O)c1cnccn1
InChIInChI=1S/C20H33N5O3/c1-17-6-3-4-11-24(17)12-5-8-23-19(26)7-13-25(14-15-28-2)20(27)18-16-21-9-10-22-18/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,23,26)
InChIKeyQYQGITPEFKSIEU-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.34
Rot. Bonds11

About N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide

N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 42783353) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID42783353
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC NameN-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOCCN(CCC(=O)NCCCN1CCCCC1C)C(=O)c1cnccn1
InChIInChI=1S/C20H33N5O3/c1-17-6-3-4-11-24(17)12-5-8-23-19(26)7-13-25(14-15-28-2)20(27)18-16-21-9-10-22-18/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,23,26)
InChIKeyQYQGITPEFKSIEU-UHFFFAOYSA-N
XLogP1.34
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.34
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

N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 7495019
N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783403
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide (CID 42783353) is N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide is COCCN(CCC(=O)NCCCN1CCCCC1C)C(=O)c1cnccn1.
What is the InChIKey of N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is QYQGITPEFKSIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-17-6-3-4-11-24(17)12-5-8-23-19(26)7-13-25(14-15-28-2)20(27)18-16-21-9-10-22-18/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 1.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).