5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide

C13H18N6O — CID 107374403

IUPAC5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C13H18N6O/c1-2-15-12-9-17-11(8-18-12)13(20)16-4-3-6-19-7-5-14-10-19/h5,7-10H,2-4,6H2,1H3,(H,15,18)(H,16,20)
InChIKeySDNOTDKOFTUOSV-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.93
Rot. Bonds7

About 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide

5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide (PubChem CID 107374403) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
PubChem CID107374403
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C13H18N6O/c1-2-15-12-9-17-11(8-18-12)13(20)16-4-3-6-19-7-5-14-10-19/h5,7-10H,2-4,6H2,1H3,(H,15,18)(H,16,20)
InChIKeySDNOTDKOFTUOSV-UHFFFAOYSA-N
XLogP0.93
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
CID 107375001
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721
5-hydrazinyl-N-(2-imidazol-1-ylethyl)pyrazine-2-carboxamide
CID 107378052
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106377
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-carbamothioyl-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 63724768

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide (CID 107374403) is 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCCCn2ccnc2)cn1.
What is the InChIKey of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide?
The InChIKey is SDNOTDKOFTUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-15-12-9-17-11(8-18-12)13(20)16-4-3-6-19-7-5-14-10-19/h5,7-10H,2-4,6H2,1H3,(H,15,18)(H,16,20).
What are the key properties of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide?
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107374403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).