ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol

C23H24N2O4 — CID 142337828

IUPACethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
SMILESCCOC(=O)c1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1.CO
InChIInChI=1S/C22H20N2O3.CH4O/c1-2-27-22(26)20-5-3-4-16(14-20)15-24-21(25)19-8-6-17(7-9-19)18-10-12-23-13-11-18;1-2/h3-14H,2,15H2,1H3,(H,24,25);2H,1H3
InChIKeyZUJOLNYEGXKRSU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.46
Rot. Bonds6

About ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol

ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol (PubChem CID 142337828) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol.

Molecular Properties

Compound Nameethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
PubChem CID142337828
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
SMILESCCOC(=O)c1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1.CO
InChIInChI=1S/C22H20N2O3.CH4O/c1-2-27-22(26)20-5-3-4-16(14-20)15-24-21(25)19-8-6-17(7-9-19)18-10-12-23-13-11-18;1-2/h3-14H,2,15H2,1H3,(H,24,25);2H,1H3
InChIKeyZUJOLNYEGXKRSU-UHFFFAOYSA-N
XLogP3.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate
CID 67258110
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
ethyl 3-(aminomethyl)benzoate
CID 15079215
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 62594019

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol?
The IUPAC name of ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol (CID 142337828) is ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol.
What is the SMILES notation for ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol?
The canonical SMILES for ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol is CCOC(=O)c1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1.CO.
What is the InChIKey of ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol?
The InChIKey is ZUJOLNYEGXKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3.CH4O/c1-2-27-22(26)20-5-3-4-16(14-20)15-24-21(25)19-8-6-17(7-9-19)18-10-12-23-13-11-18;1-2/h3-14H,2,15H2,1H3,(H,24,25);2H,1H3.
What are the key properties of ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol?
ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol has a molecular weight of 392.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol is sourced from PubChem (CID 142337828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).