[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

C18H16N4O3 — CID 23744377

IUPAC[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(-c3ncc[nH]3)cc2)nc1
InChIInChI=1S/C18H16N4O3/c1-12-2-7-15(21-10-12)22-16(23)11-25-18(24)14-5-3-13(4-6-14)17-19-8-9-20-17/h2-10H,11H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyDATJPMBFPQBXDX-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.58
Rot. Bonds5

About [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23744377) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
PubChem CID23744377
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(-c3ncc[nH]3)cc2)nc1
InChIInChI=1S/C18H16N4O3/c1-12-2-7-15(21-10-12)22-16(23)11-25-18(24)14-5-3-13(4-6-14)17-19-8-9-20-17/h2-10H,11H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyDATJPMBFPQBXDX-UHFFFAOYSA-N
XLogP2.58
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23915920
methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
CID 23943561
[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999278
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23831428
[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25036442
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25039785
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-[4-(1H-imidazol-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 110726544
N-(5-methyl-2-pyridinyl)-1H-imidazole-2-carboxamide
CID 110466431
[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate
CID 23744378
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23887792
ethyl 4-[(5-methyl-2-pyridinyl)carbamothioylamino]benzoate
CID 19686092

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (CID 23744377) is [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ncc[nH]3)cc2)nc1.
What is the InChIKey of [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is DATJPMBFPQBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-2-7-15(21-10-12)22-16(23)11-25-18(24)14-5-3-13(4-6-14)17-19-8-9-20-17/h2-10H,11H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 336.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23744377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).