methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate

C21H17ClN2O3 — CID 24775351

IUPACmethyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccccc3C)nc2)c1
InChIInChI=1S/C21H17ClN2O3/c1-13-5-3-4-6-16(13)20(25)24-19-10-8-15(12-23-19)17-11-14(21(26)27-2)7-9-18(17)22/h3-12H,1-2H3,(H,23,24,25)
InChIKeyOVVKGXGJVOEFKO-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.75
Rot. Bonds4

About methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate

methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate (PubChem CID 24775351) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
PubChem CID24775351
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Namemethyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccccc3C)nc2)c1
InChIInChI=1S/C21H17ClN2O3/c1-13-5-3-4-6-16(13)20(25)24-19-10-8-15(12-23-19)17-11-14(21(26)27-2)7-9-18(17)22/h3-12H,1-2H3,(H,23,24,25)
InChIKeyOVVKGXGJVOEFKO-UHFFFAOYSA-N
XLogP4.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]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 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
CID 58487482
N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 71010092
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 58487274
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[5-(3,4-dichlorophenyl)-2-pyridinyl]benzamide
CID 24949712
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate?
The IUPAC name of methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate (CID 24775351) is methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate?
The canonical SMILES for methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate is COC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccccc3C)nc2)c1.
What is the InChIKey of methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate?
The InChIKey is OVVKGXGJVOEFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-13-5-3-4-6-16(13)20(25)24-19-10-8-15(12-23-19)17-11-14(21(26)27-2)7-9-18(17)22/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate?
methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate has a molecular weight of 380.83 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate is sourced from PubChem (CID 24775351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).