methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate

C22H21N3O4 — CID 109200002

IUPACmethyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C22H21N3O4/c1-3-29-20-7-5-4-6-18(20)24-17-12-13-19(23-14-17)21(26)25-16-10-8-15(9-11-16)22(27)28-2/h4-14,24H,3H2,1-2H3,(H,25,26)
InChIKeyFCKBMRKFEOOHAV-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.26
Rot. Bonds7

About methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109200002) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109200002
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C22H21N3O4/c1-3-29-20-7-5-4-6-18(20)24-17-12-13-19(23-14-17)21(26)25-16-10-8-15(9-11-16)22(27)28-2/h4-14,24H,3H2,1-2H3,(H,25,26)
InChIKeyFCKBMRKFEOOHAV-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

methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
5-(2-ethoxyanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197177
N-(3-acetylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109199996
N-(3,4-dimethylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109198092
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
N-(2,6-difluorophenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109200015
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199100
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate (CID 109200002) is methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate is CCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1.
What is the InChIKey of methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is FCKBMRKFEOOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-20-7-5-4-6-18(20)24-17-12-13-19(23-14-17)21(26)25-16-10-8-15(9-11-16)22(27)28-2/h4-14,24H,3H2,1-2H3,(H,25,26).
What are the key properties of methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]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-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109200002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).