methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate

C23H23N3O3 — CID 109245916

IUPACmethyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C23H23N3O3/c1-4-26(18-9-7-8-16(2)12-18)19-13-17(14-24-15-19)22(27)25-21-11-6-5-10-20(21)23(28)29-3/h5-15H,4H2,1-3H3,(H,25,27)
InChIKeyWGLZXEILRVYZMX-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.59
Rot. Bonds6

About methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate

methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109245916) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109245916
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C23H23N3O3/c1-4-26(18-9-7-8-16(2)12-18)19-13-17(14-24-15-19)22(27)25-21-11-6-5-10-20(21)23(28)29-3/h5-15H,4H2,1-3H3,(H,25,27)
InChIKeyWGLZXEILRVYZMX-UHFFFAOYSA-N
XLogP4.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245566
5-(N-ethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241654
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109246001
N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109245017
methyl 2-[[5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109237134
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223106
5-(N-ethylanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243612
N-(2,5-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243638
5-(N-ethylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109243659
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate (CID 109245916) is methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate is CCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccccc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is WGLZXEILRVYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-26(18-9-7-8-16(2)12-18)19-13-17(14-24-15-19)22(27)25-21-11-6-5-10-20(21)23(28)29-3/h5-15H,4H2,1-3H3,(H,25,27).
What are the key properties of methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109245916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).