methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate

C14H10Cl2N2O3 — CID 26098317

IUPACmethyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2N2O3/c1-21-14(20)8-2-4-10(5-3-8)17-13(19)9-6-11(15)18-12(16)7-9/h2-7H,1H3,(H,17,19)
InChIKeyDBJGEUNFKGPBSY-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.43
Rot. Bonds3

About methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate

methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate (PubChem CID 26098317) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
PubChem CID26098317
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Namemethyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2N2O3/c1-21-14(20)8-2-4-10(5-3-8)17-13(19)9-6-11(15)18-12(16)7-9/h2-7H,1H3,(H,17,19)
InChIKeyDBJGEUNFKGPBSY-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
CID 61041834
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[(4-chloro-3,5-dinitrobenzoyl)amino]benzoate
CID 4633777
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
CID 176550811
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate (CID 26098317) is methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate?
The InChIKey is DBJGEUNFKGPBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-21-14(20)8-2-4-10(5-3-8)17-13(19)9-6-11(15)18-12(16)7-9/h2-7H,1H3,(H,17,19).
What are the key properties of methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate?
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate has a molecular weight of 325.15 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 26098317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).