ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate

C23H23N3O3 — CID 109156091

IUPACethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)18-8-11-20(12-9-18)26-21-13-10-19(15-24-21)22(27)25-14-17-6-4-16(2)5-7-17/h4-13,15H,3,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLSQMBEIYALBPQN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.24
Rot. Bonds7

About ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate

ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109156091) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109156091
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)18-8-11-20(12-9-18)26-21-13-10-19(15-24-21)22(27)25-14-17-6-4-16(2)5-7-17/h4-13,15H,3,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLSQMBEIYALBPQN-UHFFFAOYSA-N
XLogP4.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
ethyl 4-[[5-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109255349
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
ethyl 4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112872020
ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162871
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate (CID 109156091) is ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is LSQMBEIYALBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-29-23(28)18-8-11-20(12-9-18)26-21-13-10-19(15-24-21)22(27)25-14-17-6-4-16(2)5-7-17/h4-13,15H,3,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109156091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).