methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate

C21H20N2O2 — CID 71591602

IUPACmethyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(NCc2ccccc2)nc1C
InChIInChI=1S/C21H20N2O2/c1-15-20(21(24)25-2)18(17-11-7-4-8-12-17)13-19(23-15)22-14-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3,(H,22,23)
InChIKeyGYEDEIJSUBDHGH-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.46
Rot. Bonds5

About methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate

methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate (PubChem CID 71591602) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate
PubChem CID71591602
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Namemethyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(NCc2ccccc2)nc1C
InChIInChI=1S/C21H20N2O2/c1-15-20(21(24)25-2)18(17-11-7-4-8-12-17)13-19(23-15)22-14-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3,(H,22,23)
InChIKeyGYEDEIJSUBDHGH-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(benzylamino)-2-methyl-4-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

Related Compounds

methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71762856
ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71591622
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
methyl 6-(benzylamino)-2-chloropyrimidine-4-carboxylate
CID 87563470
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
[6-(benzylamino)-2-methyl-3-pyridinyl]methanol
CID 102546130
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
methyl 3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112915578

Frequently Asked Questions

What is the IUPAC name of methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate (CID 71591602) is methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate is COC(=O)c1c(-c2ccccc2)cc(NCc2ccccc2)nc1C.
What is the InChIKey of methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
The InChIKey is GYEDEIJSUBDHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-20(21(24)25-2)18(17-11-7-4-8-12-17)13-19(23-15)22-14-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3,(H,22,23).
What are the key properties of methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 71591602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).