N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide

C15H24N4O3 — CID 4168241

IUPACN-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCONC(=O)CCN(CC(C)C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C15H24N4O3/c1-5-22-18-14(20)6-7-19(10-11(2)3)15(21)13-9-16-12(4)8-17-13/h8-9,11H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyDDTQEDBBSOJLSD-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.34
Rot. Bonds8

About N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide

N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 4168241) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID4168241
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCONC(=O)CCN(CC(C)C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C15H24N4O3/c1-5-22-18-14(20)6-7-19(10-11(2)3)15(21)13-9-16-12(4)8-17-13/h8-9,11H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyDDTQEDBBSOJLSD-UHFFFAOYSA-N
XLogP1.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 42783067
5-methyl-N-(2-methylpropyl)-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3363056
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7271625
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
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-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 7226719
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4091593
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
diethyl-[(4S)-4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoylamino]pentyl]azanium
CID 7293187

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 4168241) is N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide is CCONC(=O)CCN(CC(C)C)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is DDTQEDBBSOJLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-5-22-18-14(20)6-7-19(10-11(2)3)15(21)13-9-16-12(4)8-17-13/h8-9,11H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 4168241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).