methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate

C22H19N3O4 — CID 109164458

IUPACmethyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C22H19N3O4/c1-14(26)15-6-5-7-17(12-15)24-20-11-10-16(13-23-20)21(27)25-19-9-4-3-8-18(19)22(28)29-2/h3-13H,1-2H3,(H,23,24)(H,25,27)
InChIKeyLXSGDIXKPSDJSP-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.07
Rot. Bonds6

About methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate

methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109164458) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109164458
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C22H19N3O4/c1-14(26)15-6-5-7-17(12-15)24-20-11-10-16(13-23-20)21(27)25-19-9-4-3-8-18(19)22(28)29-2/h3-13H,1-2H3,(H,23,24)(H,25,27)
InChIKeyLXSGDIXKPSDJSP-UHFFFAOYSA-N
XLogP4.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
methyl 2-[[6-(4-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163056
methyl 3-[[5-[(2,6-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109162753
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
methyl 2-[[4-(3-acetylanilino)pyrimidin-2-yl]amino]benzoate
CID 112905594
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109164310
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate (CID 109164458) is methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nc1.
What is the InChIKey of methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is LXSGDIXKPSDJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14(26)15-6-5-7-17(12-15)24-20-11-10-16(13-23-20)21(27)25-19-9-4-3-8-18(19)22(28)29-2/h3-13H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate?
methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109164458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).