N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide

C12H20N4O2 — CID 47029887

IUPACN-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cnccn1
InChIInChI=1S/C12H20N4O2/c1-16(8-9-18-2)7-3-4-15-12(17)11-10-13-5-6-14-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17)
InChIKeyCWDWXDGLHLOSME-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.17
Rot. Bonds8

About N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide

N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 47029887) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID47029887
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cnccn1
InChIInChI=1S/C12H20N4O2/c1-16(8-9-18-2)7-3-4-15-12(17)11-10-13-5-6-14-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17)
InChIKeyCWDWXDGLHLOSME-UHFFFAOYSA-N
XLogP0.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide (CID 47029887) is N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide is COCCN(C)CCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is CWDWXDGLHLOSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(8-9-18-2)7-3-4-15-12(17)11-10-13-5-6-14-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxyethyl(methyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47029887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).