ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate

C15H16ClN3O2 — CID 67021554

IUPACethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2ncccc2N)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-2-21-14(20)8-10-5-6-11(9-12(10)16)19-15-13(17)4-3-7-18-15/h3-7,9H,2,8,17H2,1H3,(H,18,19)
InChIKeyYTINQOSZQUISOP-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.17
Rot. Bonds5

About ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate

ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate (PubChem CID 67021554) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate
PubChem CID67021554
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Nameethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2ncccc2N)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-2-21-14(20)8-10-5-6-11(9-12(10)16)19-15-13(17)4-3-7-18-15/h3-7,9H,2,8,17H2,1H3,(H,18,19)
InChIKeyYTINQOSZQUISOP-UHFFFAOYSA-N
XLogP3.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate 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

methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate
CID 67021599
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
tert-butyl 2-[4-[(3-amino-2-pyridinyl)amino]phenyl]acetate
CID 159451507
ethyl 4-[(3-amino-2-pyridinyl)amino]benzoate;ethyl 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 160687820
ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate
CID 113391864
sodium 2-[2-(3,4-dichloroanilino)-3-pyridinyl]acetate
CID 67938917
ethyl 2-[4-(3-bromoanilino)-6-chloropyrimidin-5-yl]acetate
CID 142331256
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-[[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22546738
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide
CID 23298087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate?
The IUPAC name of ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate (CID 67021554) is ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate is CCOC(=O)Cc1ccc(Nc2ncccc2N)cc1Cl.
What is the InChIKey of ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate?
The InChIKey is YTINQOSZQUISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-21-14(20)8-10-5-6-11(9-12(10)16)19-15-13(17)4-3-7-18-15/h3-7,9H,2,8,17H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate?
ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate has a molecular weight of 305.77 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate is sourced from PubChem (CID 67021554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).