methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate

C16H15ClN2O4 — CID 166386868

IUPACmethyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)Nc2cc(C)c(=O)n(C)c2)ccc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-9-6-11(8-19(2)15(9)21)18-14(20)10-4-5-13(17)12(7-10)16(22)23-3/h4-8H,1-3H3,(H,18,20)
InChIKeyZZKTXARNUZQUEN-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate

methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate (PubChem CID 166386868) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate
PubChem CID166386868
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Namemethyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)Nc2cc(C)c(=O)n(C)c2)ccc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-9-6-11(8-19(2)15(9)21)18-14(20)10-4-5-13(17)12(7-10)16(22)23-3/h4-8H,1-3H3,(H,18,20)
InChIKeyZZKTXARNUZQUEN-UHFFFAOYSA-N
XLogP2.39
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(1,5-dimethyl-6-oxo-3-pyridinyl)amino]-(4-fluorophenyl)methyl]-1-methylpyrrole-3-carboxylate
CID 118095275
methyl 5-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-chlorobenzoate
CID 60728863
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 34160976
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80973979
methyl 2-chloro-5-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 46770674
methyl 2-chloro-5-(pyrrolidine-1-carbonyl)benzoate
CID 155961213
2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
CID 59023663
methyl 4-[(2-methyl-1-oxoisoquinoline-4-carbonyl)amino]benzoate
CID 52905404
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
CID 17313445

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate (CID 166386868) is methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate is COC(=O)c1cc(C(=O)Nc2cc(C)c(=O)n(C)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate?
The InChIKey is ZZKTXARNUZQUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9-6-11(8-19(2)15(9)21)18-14(20)10-4-5-13(17)12(7-10)16(22)23-3/h4-8H,1-3H3,(H,18,20).
What are the key properties of methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate?
methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate has a molecular weight of 334.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate is sourced from PubChem (CID 166386868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).