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

C23H22N2O3 — CID 36776567

IUPACmethyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C23H22N2O3/c1-16-20(12-13-21(25-16)18-6-4-3-5-7-18)22(26)24-15-14-17-8-10-19(11-9-17)23(27)28-2/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeySSGJZJYRAIMZGE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.82
Rot. Bonds6

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

methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate (PubChem CID 36776567) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate
PubChem CID36776567
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namemethyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C23H22N2O3/c1-16-20(12-13-21(25-16)18-6-4-3-5-7-18)22(26)24-15-14-17-8-10-19(11-9-17)23(27)28-2/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeySSGJZJYRAIMZGE-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.82
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-[2-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27757163
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
CID 119431609
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
N-(2-amino-2-methylpropyl)-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119627957
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 86997310
methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
CID 36776245
methyl 4-[2-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111199397
N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate (CID 36776567) is methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)c2ccc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate?
The InChIKey is SSGJZJYRAIMZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-20(12-13-21(25-16)18-6-4-3-5-7-18)22(26)24-15-14-17-8-10-19(11-9-17)23(27)28-2/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate?
methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate has a molecular weight of 374.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate is sourced from PubChem (CID 36776567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).