ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate

C24H24N2O4 — CID 19631305

IUPACethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(OCC)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-22-9-5-8-20(15-22)23(27)26(17-18-7-6-14-25-16-18)21-12-10-19(11-13-21)24(28)30-4-2/h5-16H,3-4,17H2,1-2H3
InChIKeyFRPVJQZZIKTKAV-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.50
Rot. Bonds8

About ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate

ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate (PubChem CID 19631305) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
PubChem CID19631305
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(OCC)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-22-9-5-8-20(15-22)23(27)26(17-18-7-6-14-25-16-18)21-12-10-19(11-13-21)24(28)30-4-2/h5-16H,3-4,17H2,1-2H3
InChIKeyFRPVJQZZIKTKAV-UHFFFAOYSA-N
XLogP4.50
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(4-chlorophenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22778176
ethyl 4-[[2-(4-bromophenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 23096487
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
ethyl 4-[[2-(2,4-dimethylphenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22777024
ethyl 4-[(3-chlorobenzoyl)-(pyridin-4-ylmethyl)amino]benzoate
CID 19630476
ethyl 4-[(2-chloro-5-nitrobenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 22781124
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22781341
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
3,5-dimethoxy-N-(3-methylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360333
ethyl 4-[(3,5-diethoxybenzoyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate
CID 23100773
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102
3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360522

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate?
The IUPAC name of ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate (CID 19631305) is ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate is CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(OCC)c2)cc1.
What is the InChIKey of ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate?
The InChIKey is FRPVJQZZIKTKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-22-9-5-8-20(15-22)23(27)26(17-18-7-6-14-25-16-18)21-12-10-19(11-13-21)24(28)30-4-2/h5-16H,3-4,17H2,1-2H3.
What are the key properties of ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate?
ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate has a molecular weight of 404.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate is sourced from PubChem (CID 19631305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).