methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate

C20H17N3O3 — CID 109197014

IUPACmethyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccccc3)nc2)c1
InChIInChI=1S/C20H17N3O3/c1-26-20(25)14-6-5-9-16(12-14)22-17-10-11-18(21-13-17)19(24)23-15-7-3-2-4-8-15/h2-13,22H,1H3,(H,23,24)
InChIKeyPQXHFTMVHIFENU-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.86
Rot. Bonds5

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

methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109197014) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109197014
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Namemethyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccccc3)nc2)c1
InChIInChI=1S/C20H17N3O3/c1-26-20(25)14-6-5-9-16(12-14)22-17-10-11-18(21-13-17)19(24)23-15-7-3-2-4-8-15/h2-13,22H,1H3,(H,23,24)
InChIKeyPQXHFTMVHIFENU-UHFFFAOYSA-N
XLogP3.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200517
methyl 3-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200498
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 3-[[5-(butan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181726
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109197014) is methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccccc3)nc2)c1.
What is the InChIKey of methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is PQXHFTMVHIFENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-20(25)14-6-5-9-16(12-14)22-17-10-11-18(21-13-17)19(24)23-15-7-3-2-4-8-15/h2-13,22H,1H3,(H,23,24).
What are the key properties of methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate?
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 347.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109197014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).