methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate

C21H18N2O3 — CID 27873719

IUPACmethyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H18N2O3/c1-14-18(12-13-19(22-14)15-6-4-3-5-7-15)20(24)23-17-10-8-16(9-11-17)21(25)26-2/h3-13H,1-2H3,(H,23,24)
InChIKeyMIDMOYLQBBPCAA-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.10
Rot. Bonds4

About methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate

methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate (PubChem CID 27873719) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
PubChem CID27873719
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namemethyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H18N2O3/c1-14-18(12-13-19(22-14)15-6-4-3-5-7-15)20(24)23-17-10-8-16(9-11-17)21(25)26-2/h3-13H,1-2H3,(H,23,24)
InChIKeyMIDMOYLQBBPCAA-UHFFFAOYSA-N
XLogP4.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2-methyl-6-phenylpyridine-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 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate
CID 36776567
N-(3-methoxyphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 17498937
methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 86997310
2-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-6-phenylpyridine-3-carboxamide
CID 78890076
N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 36823885
N-(4-amino-3,5-dichlorophenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55464176
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
CID 110861762
N-[2-(dimethylcarbamoyl)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 39231573
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate (CID 27873719) is methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is MIDMOYLQBBPCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-18(12-13-19(22-14)15-6-4-3-5-7-15)20(24)23-17-10-8-16(9-11-17)21(25)26-2/h3-13H,1-2H3,(H,23,24).
What are the key properties of methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate has a molecular weight of 346.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 27873719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).