ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C22H21N3O4 — CID 109199714

IUPACethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2OC)nc1
InChIInChI=1S/C22H21N3O4/c1-3-29-22(27)16-8-4-5-9-17(16)24-15-12-13-19(23-14-15)21(26)25-18-10-6-7-11-20(18)28-2/h4-14,24H,3H2,1-2H3,(H,25,26)
InChIKeySHVQKIZDRCUSJI-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.26
Rot. Bonds7

About ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109199714) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109199714
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Nameethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2OC)nc1
InChIInChI=1S/C22H21N3O4/c1-3-29-22(27)16-8-4-5-9-17(16)24-15-12-13-19(23-14-15)21(26)25-18-10-6-7-11-20(18)28-2/h4-14,24H,3H2,1-2H3,(H,25,26)
InChIKeySHVQKIZDRCUSJI-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 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199740
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
5-(2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109199964
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
5-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 104639682
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109199714) is ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2OC)nc1.
What is the InChIKey of ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is SHVQKIZDRCUSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-22(27)16-8-4-5-9-17(16)24-15-12-13-19(23-14-15)21(26)25-18-10-6-7-11-20(18)28-2/h4-14,24H,3H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-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-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109199714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).