methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate

C22H21N3O3 — CID 109176912

IUPACmethyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccccc3C(=O)OC)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-3-15-8-10-17(11-9-15)24-20-14-16(12-13-23-20)21(26)25-19-7-5-4-6-18(19)22(27)28-2/h4-14H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyNPCJTUFOILIEBA-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.43
Rot. Bonds6

About methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate

methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109176912) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109176912
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccccc3C(=O)OC)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-3-15-8-10-17(11-9-15)24-20-14-16(12-13-23-20)21(26)25-19-7-5-4-6-18(19)22(27)28-2/h4-14H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyNPCJTUFOILIEBA-UHFFFAOYSA-N
XLogP4.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176780
methyl 2-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865413
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177220
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162871
methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177046
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate (CID 109176912) is methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate is CCc1ccc(Nc2cc(C(=O)Nc3ccccc3C(=O)OC)ccn2)cc1.
What is the InChIKey of methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is NPCJTUFOILIEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-15-8-10-17(11-9-15)24-20-14-16(12-13-23-20)21(26)25-19-7-5-4-6-18(19)22(27)28-2/h4-14H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109176912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).