methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate

C20H16ClN3O3 — CID 109163419

IUPACmethyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)13-5-8-16(9-6-13)24-19(25)14-7-10-18(22-12-14)23-17-4-2-3-15(21)11-17/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyZYQZXRDXIYLITN-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.52
Rot. Bonds5

About methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate

methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109163419) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109163419
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Namemethyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)13-5-8-16(9-6-13)24-19(25)14-7-10-18(22-12-14)23-17-4-2-3-15(21)11-17/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyZYQZXRDXIYLITN-UHFFFAOYSA-N
XLogP4.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163584
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
methyl 3-[[5-[(2,6-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109162753
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate (CID 109163419) is methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)nc2)cc1.
What is the InChIKey of methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is ZYQZXRDXIYLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-20(26)13-5-8-16(9-6-13)24-19(25)14-7-10-18(22-12-14)23-17-4-2-3-15(21)11-17/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 381.82 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109163419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).