N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide

C18H28N4O — CID 75494585

IUPACN-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide
SMILESCCCC1CCN(/C(=N\C)NCc2cccc(C(=O)NC)c2)C1
InChIInChI=1S/C18H28N4O/c1-4-6-14-9-10-22(13-14)18(20-3)21-12-15-7-5-8-16(11-15)17(23)19-2/h5,7-8,11,14H,4,6,9-10,12-13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyNCYCHTLKFXMJOC-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide

N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide (PubChem CID 75494585) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide
PubChem CID75494585
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide
SMILESCCCC1CCN(/C(=N\C)NCc2cccc(C(=O)NC)c2)C1
InChIInChI=1S/C18H28N4O/c1-4-6-14-9-10-22(13-14)18(20-3)21-12-15-7-5-8-16(11-15)17(23)19-2/h5,7-8,11,14H,4,6,9-10,12-13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyNCYCHTLKFXMJOC-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide
CID 111725009
3-[[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111725008
3-[[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111734546
3-[[[C-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111737118
3-[[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110959660
N-methyl-3-[[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109490146
3-[[[(3-benzylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111724768
N-methyl-3-[[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111207193
methyl 1-[N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252465
N-butan-2-yl-3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111144045
N-tert-butyl-3-[[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide
CID 111723443
N-ethyl-3-[[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111732059

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide (CID 75494585) is N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide is CCCC1CCN(/C(=N\C)NCc2cccc(C(=O)NC)c2)C1.
What is the InChIKey of N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide?
The InChIKey is NCYCHTLKFXMJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-4-6-14-9-10-22(13-14)18(20-3)21-12-15-7-5-8-16(11-15)17(23)19-2/h5,7-8,11,14H,4,6,9-10,12-13H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide?
N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide has a molecular weight of 316.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[N-methyl-C-(3-propylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide is sourced from PubChem (CID 75494585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).