methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

C19H20ClN3O4 — CID 109099029

IUPACmethyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)n1
InChIInChI=1S/C19H20ClN3O4/c1-4-23(5-2)18(25)15-8-6-7-14(21-15)17(24)22-16-11-12(19(26)27-3)9-10-13(16)20/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyJULHLUAVGWVTOC-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.26
Rot. Bonds6

About methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109099029) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109099029
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Namemethyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)n1
InChIInChI=1S/C19H20ClN3O4/c1-4-23(5-2)18(25)15-8-6-7-14(21-15)17(24)22-16-11-12(19(26)27-3)9-10-13(16)20/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyJULHLUAVGWVTOC-UHFFFAOYSA-N
XLogP3.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998
methyl 4-chloro-3-[[6-(diethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109194670
methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109174778
methyl 3-[[2-(benzylamino)pyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109303705
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
methyl 4-chloro-3-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149474
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
methyl 4-chloro-3-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108986502
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
6-N,6-N-diethyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109098988

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (CID 109099029) is methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is CCN(CC)C(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)n1.
What is the InChIKey of methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is JULHLUAVGWVTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-4-23(5-2)18(25)15-8-6-7-14(21-15)17(24)22-16-11-12(19(26)27-3)9-10-13(16)20/h6-11H,4-5H2,1-3H3,(H,22,24).
What are the key properties of methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 389.84 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109099029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).