N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide

C18H17ClN4O3 — CID 78851149

IUPACN-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)nc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H17ClN4O3/c1-22(10-13-4-7-15(19)20-8-13)17(25)14-5-2-12(3-6-14)11-23-16(24)9-21-18(23)26/h2-8H,9-11H2,1H3,(H,21,26)
InChIKeyVMGLRXKCJCXTRX-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.06
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide

N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide (PubChem CID 78851149) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
PubChem CID78851149
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)nc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H17ClN4O3/c1-22(10-13-4-7-15(19)20-8-13)17(25)14-5-2-12(3-6-14)11-23-16(24)9-21-18(23)26/h2-8H,9-11H2,1H3,(H,21,26)
InChIKeyVMGLRXKCJCXTRX-UHFFFAOYSA-N
XLogP2.06
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide
CID 78805985
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925206
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
N-[(6-chloro-3-pyridinyl)methyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylacetamide
CID 98404984
N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 86898588
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168732
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 33046283
N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119656251
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 18145563

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide (CID 78851149) is N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The InChIKey is VMGLRXKCJCXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-22(10-13-4-7-15(19)20-8-13)17(25)14-5-2-12(3-6-14)11-23-16(24)9-21-18(23)26/h2-8H,9-11H2,1H3,(H,21,26).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide has a molecular weight of 372.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78851149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).