N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide

C13H20N4O — CID 114036099

IUPACN-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cncc(C(=O)NCCCC2CC2)n1
InChIInChI=1S/C13H20N4O/c1-2-15-12-9-14-8-11(17-12)13(18)16-7-3-4-10-5-6-10/h8-10H,2-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyNJHOEQQBWQDWBC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds7

About N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide

N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide (PubChem CID 114036099) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
PubChem CID114036099
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cncc(C(=O)NCCCC2CC2)n1
InChIInChI=1S/C13H20N4O/c1-2-15-12-9-14-8-11(17-12)13(18)16-7-3-4-10-5-6-10/h8-10H,2-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyNJHOEQQBWQDWBC-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide
CID 106050219
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyrazine-2-carboxamide
CID 106327146
6-(ethylamino)-N-(2-methylbutan-2-yl)pyrazine-2-carboxamide
CID 114035629
N-cyclopentyl-6-(ethylamino)-N-methylpyrazine-2-carboxamide
CID 114035723
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide (CID 114036099) is N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide is CCNc1cncc(C(=O)NCCCC2CC2)n1.
What is the InChIKey of N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is NJHOEQQBWQDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-15-12-9-14-8-11(17-12)13(18)16-7-3-4-10-5-6-10/h8-10H,2-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide?
N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 114036099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).