ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate

C21H20N2O2 — CID 25111013

IUPACethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C21H20N2O2/c1-3-25-21(24)19-17(15-11-9-14(2)10-12-15)13-18(23-20(19)22)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H2,22,23)
InChIKeyBJOIQYDPPRYWPD-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.48
Rot. Bonds4

About ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate

ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate (PubChem CID 25111013) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate
PubChem CID25111013
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Nameethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C21H20N2O2/c1-3-25-21(24)19-17(15-11-9-14(2)10-12-15)13-18(23-20(19)22)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H2,22,23)
InChIKeyBJOIQYDPPRYWPD-UHFFFAOYSA-N
XLogP4.48
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate (CID 25111013) is ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N.
What is the InChIKey of ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
The InChIKey is BJOIQYDPPRYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-25-21(24)19-17(15-11-9-14(2)10-12-15)13-18(23-20(19)22)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H2,22,23).
What are the key properties of ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25111013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).