4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide

C18H25N7O — CID 110963877

IUPAC4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(-n2ccnc2)nc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25N7O/c1-3-20-18(24-10-8-23(9-11-24)15(2)26)22-13-16-4-5-17(21-12-16)25-7-6-19-14-25/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,20,22)
InChIKeyCMXNQZAHSOLRPU-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.90
Rot. Bonds4

About 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide (PubChem CID 110963877) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
PubChem CID110963877
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(-n2ccnc2)nc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25N7O/c1-3-20-18(24-10-8-23(9-11-24)15(2)26)22-13-16-4-5-17(21-12-16)25-7-6-19-14-25/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,20,22)
InChIKeyCMXNQZAHSOLRPU-UHFFFAOYSA-N
XLogP0.90
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442692
N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133716
4-acetyl-N-ethyl-N'-[(6-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547014
N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955079
4-acetyl-N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962746
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111957264
1-ethyl-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111234721
N-ethyl-N'-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219795
1-ethyl-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139556
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide (CID 110963877) is 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide is CCN/C(=N\Cc1ccc(-n2ccnc2)nc1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
The InChIKey is CMXNQZAHSOLRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-3-20-18(24-10-8-23(9-11-24)15(2)26)22-13-16-4-5-17(21-12-16)25-7-6-19-14-25/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,20,22).
What are the key properties of 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide has a molecular weight of 355.45 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110963877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).