methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate

C22H19N3O5 — CID 90266337

IUPACmethyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C22H19N3O5/c1-29-16-10-11-18(17(13-16)21(27)25-19-5-3-4-12-23-19)24-20(26)14-6-8-15(9-7-14)22(28)30-2/h3-13H,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyDNGPZAYNRYZZOZ-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.38
Rot. Bonds6

About methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate

methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 90266337) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID90266337
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Namemethyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C22H19N3O5/c1-29-16-10-11-18(17(13-16)21(27)25-19-5-3-4-12-23-19)24-20(26)14-6-8-15(9-7-14)22(28)30-2/h3-13H,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyDNGPZAYNRYZZOZ-UHFFFAOYSA-N
XLogP3.38
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide
CID 157220767
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
N-(5-bromo-2-pyridinyl)-2-[(4-isocyanobenzoyl)amino]-5-methoxybenzamide
CID 18728045
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide
CID 90265466
4-hydroxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 121273557
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467
methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
CID 155970115
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate (CID 90266337) is methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccccn2)cc1.
What is the InChIKey of methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is DNGPZAYNRYZZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-29-16-10-11-18(17(13-16)21(27)25-19-5-3-4-12-23-19)24-20(26)14-6-8-15(9-7-14)22(28)30-2/h3-13H,1-2H3,(H,24,26)(H,23,25,27).
What are the key properties of methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 405.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 90266337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).