5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide

C14H20N6O — CID 107375001

IUPAC5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCCn2ccnc2)cn1
InChIInChI=1S/C14H20N6O/c1-2-16-13-10-18-12(9-19-13)14(21)17-5-3-4-7-20-8-6-15-11-20/h6,8-11H,2-5,7H2,1H3,(H,16,19)(H,17,21)
InChIKeyBUTFMTFIFVOGLZ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.32
Rot. Bonds8

About 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide

5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide (PubChem CID 107375001) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
PubChem CID107375001
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCCCn2ccnc2)cn1
InChIInChI=1S/C14H20N6O/c1-2-16-13-10-18-12(9-19-13)14(21)17-5-3-4-7-20-8-6-15-11-20/h6,8-11H,2-5,7H2,1H3,(H,16,19)(H,17,21)
InChIKeyBUTFMTFIFVOGLZ-UHFFFAOYSA-N
XLogP1.32
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
CID 107374403
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
5-hydrazinyl-N-(2-imidazol-1-ylethyl)pyrazine-2-carboxamide
CID 107378052
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
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide (CID 107375001) is 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCCCCn2ccnc2)cn1.
What is the InChIKey of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide?
The InChIKey is BUTFMTFIFVOGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-16-13-10-18-12(9-19-13)14(21)17-5-3-4-7-20-8-6-15-11-20/h6,8-11H,2-5,7H2,1H3,(H,16,19)(H,17,21).
What are the key properties of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide?
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107375001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).