N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide

C16H26IN7O2 — CID 119115876

IUPACN-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1cnccn1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C16H25N7O2.HI/c1-3-18-16(23-10-8-22(9-11-23)13(2)24)21-7-6-20-15(25)14-12-17-4-5-19-14;/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)(H,20,25);1H
InChIKeyMXKRWCDXKBSDEQ-UHFFFAOYSA-N
MW475.34 g/mol
LogP-0.05
Rot. Bonds5

About N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide

N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide (PubChem CID 119115876) has the molecular formula C16H26IN7O2 and a molecular weight of 475.34 g/mol. Its IUPAC name is N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
PubChem CID119115876
Molecular FormulaC16H26IN7O2
Molecular Weight475.34 g/mol
Exact Mass475.12
IUPAC NameN-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1cnccn1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C16H25N7O2.HI/c1-3-18-16(23-10-8-22(9-11-23)13(2)24)21-7-6-20-15(25)14-12-17-4-5-19-14;/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)(H,20,25);1H
InChIKeyMXKRWCDXKBSDEQ-UHFFFAOYSA-N
XLogP-0.05
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide 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

N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide
CID 119115877
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115570
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119130741
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
CID 119130742
4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110963148
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 110963951
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119121124
N-[2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111220774
N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide
CID 120661490
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
CID 111493554
N-[2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111133417

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide (CID 119115876) is N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide is CCN/C(=N\CCNC(=O)c1cnccn1)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
The InChIKey is MXKRWCDXKBSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2.HI/c1-3-18-16(23-10-8-22(9-11-23)13(2)24)21-7-6-20-15(25)14-12-17-4-5-19-14;/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)(H,20,25);1H.
What are the key properties of N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide has a molecular weight of 475.34 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide is sourced from PubChem (CID 119115876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).