6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide

C14H25N5O — CID 106050219

IUPAC6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide
SMILESCCNc1cncc(C(=O)NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-16-13-10-15-9-12(18-13)14(20)17-7-6-8-19(4)11(2)3/h9-11H,5-8H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyNQBOTPWXFNAYIF-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.37
Rot. Bonds8

About 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide

6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 106050219) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide
PubChem CID106050219
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide
SMILESCCNc1cncc(C(=O)NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-16-13-10-15-9-12(18-13)14(20)17-7-6-8-19(4)11(2)3/h9-11H,5-8H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyNQBOTPWXFNAYIF-UHFFFAOYSA-N
XLogP1.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
CID 114036099
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
6-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106040275
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyrazine-2-carboxamide
CID 106327146
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-(ethylamino)-N-(2-methylbutan-2-yl)pyrazine-2-carboxamide
CID 114035629
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide (CID 106050219) is 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide is CCNc1cncc(C(=O)NCCCN(C)C(C)C)n1.
What is the InChIKey of 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is NQBOTPWXFNAYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-16-13-10-15-9-12(18-13)14(20)17-7-6-8-19(4)11(2)3/h9-11H,5-8H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide?
6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106050219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).