N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

C15H22N4O3 — CID 42783088

IUPACN-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCOCCNC(=O)CCN(C(=O)c1cnc(C)cn1)C1CC1
InChIInChI=1S/C15H22N4O3/c1-11-9-18-13(10-17-11)15(21)19(12-3-4-12)7-5-14(20)16-6-8-22-2/h9-10,12H,3-8H2,1-2H3,(H,16,20)
InChIKeyIHIUIUPYEIQDQI-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.54
Rot. Bonds8

About N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 42783088) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID42783088
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCOCCNC(=O)CCN(C(=O)c1cnc(C)cn1)C1CC1
InChIInChI=1S/C15H22N4O3/c1-11-9-18-13(10-17-11)15(21)19(12-3-4-12)7-5-14(20)16-6-8-22-2/h9-10,12H,3-8H2,1-2H3,(H,16,20)
InChIKeyIHIUIUPYEIQDQI-UHFFFAOYSA-N
XLogP0.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 5054791
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]furan-3-carboxamide
CID 5048266
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783081
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
N-cyclopropyl-N-(2-methoxyethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374972
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 3669246
N-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 816542
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783089

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (CID 42783088) is N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is COCCNC(=O)CCN(C(=O)c1cnc(C)cn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is IHIUIUPYEIQDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-9-18-13(10-17-11)15(21)19(12-3-4-12)7-5-14(20)16-6-8-22-2/h9-10,12H,3-8H2,1-2H3,(H,16,20).
What are the key properties of N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42783088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).