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

C22H20N2O3 — CID 86997310

IUPACmethyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C22H20N2O3/c1-14-8-7-11-18(22(26)27-3)20(14)24-21(25)17-12-13-19(23-15(17)2)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,24,25)
InChIKeySQBGZPFYIGEMKQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.40
Rot. Bonds4

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

methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate (PubChem CID 86997310) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
PubChem CID86997310
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Namemethyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C22H20N2O3/c1-14-8-7-11-18(22(26)27-3)20(14)24-21(25)17-12-13-19(23-15(17)2)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,24,25)
InChIKeySQBGZPFYIGEMKQ-UHFFFAOYSA-N
XLogP4.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
N-(3-methoxyphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 17498937
N-[2-(dimethylcarbamoyl)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 39231573
N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 36823885
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475
methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate
CID 36776567
methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 121251044
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
methyl 2-[(4-iodo-3-methylbenzoyl)amino]-3-methylbenzoate
CID 86888858
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
N-(4-amino-3,5-dichlorophenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55464176

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate (CID 86997310) is methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate is COC(=O)c1cccc(C)c1NC(=O)c1ccc(-c2ccccc2)nc1C.
What is the InChIKey of methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is SQBGZPFYIGEMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-8-7-11-18(22(26)27-3)20(14)24-21(25)17-12-13-19(23-15(17)2)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,24,25).
What are the key properties of methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate?
methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate has a molecular weight of 360.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 86997310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).