methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

C22H21N3O4 — CID 109164188

IUPACmethyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(C(=O)OC)cc3)nc2)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-19-11-9-18(10-12-19)25-21(26)16-6-13-20(23-14-16)24-17-7-4-15(5-8-17)22(27)28-2/h4-14H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQBBXFKBZSJMDLZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.26
Rot. Bonds7

About methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109164188) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109164188
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(C(=O)OC)cc3)nc2)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-19-11-9-18(10-12-19)25-21(26)16-6-13-20(23-14-16)24-17-7-4-15(5-8-17)22(27)28-2/h4-14H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQBBXFKBZSJMDLZ-UHFFFAOYSA-N
XLogP4.26
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109164188) is methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is CCOc1ccc(NC(=O)c2ccc(Nc3ccc(C(=O)OC)cc3)nc2)cc1.
What is the InChIKey of methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is QBBXFKBZSJMDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-19-11-9-18(10-12-19)25-21(26)16-6-13-20(23-14-16)24-17-7-4-15(5-8-17)22(27)28-2/h4-14H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 391.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109164188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).