ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C23H23N3O3 — CID 109242711

IUPACethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cncc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(28)19-7-5-6-8-21(19)25-18-12-17(13-24-14-18)22(27)26-20-10-9-15(2)11-16(20)3/h5-14,25H,4H2,1-3H3,(H,26,27)
InChIKeyRKWARWFFJPYNOO-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.87
Rot. Bonds6

About ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109242711) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109242711
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cncc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(28)19-7-5-6-8-21(19)25-18-12-17(13-24-14-18)22(27)26-20-10-9-15(2)11-16(20)3/h5-14,25H,4H2,1-3H3,(H,26,27)
InChIKeyRKWARWFFJPYNOO-UHFFFAOYSA-N
XLogP4.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696
ethyl 2-[[5-(2,4-difluoroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109246267
ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109223741
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
ethyl 2-[[5-(4-acetylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109231144
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
ethyl 2-[[5-(pentylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109107303
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109242711) is ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1cncc(C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is RKWARWFFJPYNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-29-23(28)19-7-5-6-8-21(19)25-18-12-17(13-24-14-18)22(27)26-20-10-9-15(2)11-16(20)3/h5-14,25H,4H2,1-3H3,(H,26,27).
What are the key properties of ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109242711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).