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

C20H16ClN3O3 — CID 113035339

IUPACmethyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3Cl)nc2)c1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)13-5-4-6-14(11-13)23-15-9-10-18(22-12-15)24-19(25)16-7-2-3-8-17(16)21/h2-12,23H,1H3,(H,22,24,25)
InChIKeyUPOJRVNCWZCOAZ-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.52
Rot. Bonds5

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

methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate (PubChem CID 113035339) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
PubChem CID113035339
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Namemethyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3Cl)nc2)c1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)13-5-4-6-14(11-13)23-15-9-10-18(22-12-15)24-19(25)16-7-2-3-8-17(16)21/h2-12,23H,1H3,(H,22,24,25)
InChIKeyUPOJRVNCWZCOAZ-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

methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300
methyl 3-[[5-(2-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199140
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766
methyl 3-[[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]amino]benzoate
CID 113035333
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200517
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate (CID 113035339) is methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3Cl)nc2)c1.
What is the InChIKey of methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
The InChIKey is UPOJRVNCWZCOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-20(26)13-5-4-6-14(11-13)23-15-9-10-18(22-12-15)24-19(25)16-7-2-3-8-17(16)21/h2-12,23H,1H3,(H,22,24,25).
What are the key properties of methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate?
methyl 3-[[6-[(2-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 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113035339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).