N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide

C13H20N4O — CID 107377006

IUPACN-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCC2CC2)cn1
InChIInChI=1S/C13H20N4O/c1-2-14-12-9-16-11(8-17-12)13(18)15-7-3-4-10-5-6-10/h8-10H,2-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyHAAVYSXXHLUYJE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds7

About N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide

N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107377006) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107377006
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCC2CC2)cn1
InChIInChI=1S/C13H20N4O/c1-2-14-12-9-16-11(8-17-12)13(18)15-7-3-4-10-5-6-10/h8-10H,2-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyHAAVYSXXHLUYJE-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)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
CID 114036099
N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107376158
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
N-(2-cyclopropylpropan-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 114112374
N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377291
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375618
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide
CID 107375742
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
CID 107374403
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
CID 107375001

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107377006) is N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCCCC2CC2)cn1.
What is the InChIKey of N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is HAAVYSXXHLUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-14-12-9-16-11(8-17-12)13(18)15-7-3-4-10-5-6-10/h8-10H,2-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(3-cyclopropylpropyl)-5-(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)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107377006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).