methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate

C20H16ClN3O3 — CID 113035276

IUPACmethyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)16-7-2-3-8-17(16)23-15-9-10-18(22-12-15)24-19(25)13-5-4-6-14(21)11-13/h2-12,23H,1H3,(H,22,24,25)
InChIKeyASKZWWKETVTYCL-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.52
Rot. Bonds5

About methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate

methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate (PubChem CID 113035276) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
PubChem CID113035276
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Namemethyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)16-7-2-3-8-17(16)23-15-9-10-18(22-12-15)24-19(25)13-5-4-6-14(21)11-13/h2-12,23H,1H3,(H,22,24,25)
InChIKeyASKZWWKETVTYCL-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

3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
CID 113036320
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate (CID 113035276) is methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1.
What is the InChIKey of methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
The InChIKey is ASKZWWKETVTYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-20(26)16-7-2-3-8-17(16)23-15-9-10-18(22-12-15)24-19(25)13-5-4-6-14(21)11-13/h2-12,23H,1H3,(H,22,24,25).
What are the key properties of methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]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 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113035276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).