ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate

C22H21N3O4 — CID 113022601

IUPACethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C22H21N3O4/c1-3-29-22(27)16-8-4-6-10-18(16)25-20-13-12-15(14-23-20)24-21(26)17-9-5-7-11-19(17)28-2/h4-14H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFOZZXVOJBBLCDN-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.26
Rot. Bonds7

About ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate

ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate (PubChem CID 113022601) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
PubChem CID113022601
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Nameethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C22H21N3O4/c1-3-29-22(27)16-8-4-6-10-18(16)25-20-13-12-15(14-23-20)24-21(26)17-9-5-7-11-19(17)28-2/h4-14H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFOZZXVOJBBLCDN-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

ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839
ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
CID 113022585
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate (CID 113022601) is ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2OC)cn1.
What is the InChIKey of ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate?
The InChIKey is FOZZXVOJBBLCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-22(27)16-8-4-6-10-18(16)25-20-13-12-15(14-23-20)24-21(26)17-9-5-7-11-19(17)28-2/h4-14H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate?
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-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 ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113022601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).