ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate

C19H23N3O3 — CID 109165643

IUPACethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCCCCNc1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1
InChIInChI=1S/C19H23N3O3/c1-3-5-11-20-17-13-14(10-12-21-17)18(23)22-16-9-7-6-8-15(16)19(24)25-4-2/h6-10,12-13H,3-5,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDQYLQCFCCIZUAR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.72
Rot. Bonds8

About ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate

ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109165643) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109165643
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCCCCNc1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1
InChIInChI=1S/C19H23N3O3/c1-3-5-11-20-17-13-14(10-12-21-17)18(23)22-16-9-7-6-8-15(16)19(24)25-4-2/h6-10,12-13H,3-5,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDQYLQCFCCIZUAR-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]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

ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109169893
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
ethyl 2-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175109
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090611
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[[6-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109344845
ethyl 2-[[4-[(3,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109179002
ethyl 2-[[5-(pentylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109107303

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate (CID 109165643) is ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate is CCCCNc1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1.
What is the InChIKey of ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is DQYLQCFCCIZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-5-11-20-17-13-14(10-12-21-17)18(23)22-16-9-7-6-8-15(16)19(24)25-4-2/h6-10,12-13H,3-5,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate?
ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109165643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).