dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate

C22H28N2O4 — CID 146674995

IUPACdimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC
InChIInChI=1S/C22H28N2O4/c1-13(2)23-18-12-17(16-10-8-15(5)9-11-16)19(21(25)27-6)20(22(26)28-7)24(18)14(3)4/h8-14H,1-7H3/b23-18+
InChIKeyVCRVMFMMFARNAN-PTGBLXJZSA-N
MW384.48 g/mol
LogP3.93
Rot. Bonds5

About dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate

dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (PubChem CID 146674995) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
PubChem CID146674995
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namedimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC
InChIInChI=1S/C22H28N2O4/c1-13(2)23-18-12-17(16-10-8-15(5)9-11-16)19(21(25)27-6)20(22(26)28-7)24(18)14(3)4/h8-14H,1-7H3/b23-18+
InChIKeyVCRVMFMMFARNAN-PTGBLXJZSA-N
XLogP3.93
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate 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 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate
CID 146674959
methyl 2-(4-methylphenyl)-6-sulfanylbenzoate
CID 102144462
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
CID 102035731
tetramethyl 1-(1-phenylethyl)pyrrole-2,3,4,5-tetracarboxylate
CID 102592899
methyl 4-(4-methylphenyl)-2-[[2-[[4-propan-2-yl-5-(5-propan-2-ylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 19720597
methyl 4-[6-(methanesulfonamido)-1-propan-2-ylindol-3-yl]benzoate
CID 67101095
methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
CID 102035727
methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate
CID 22634768
methyl 1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3,4-bis(4-hydroxyphenyl)pyrrole-2-carboxylate
CID 163098830
methyl 6-(4-methylphenyl)-2-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 59487404
2-O-ethyl 5-O,6-O-dimethyl 7-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyridine-2,5,6-tricarboxylate
CID 23257937

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (CID 146674995) is dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is COC(=O)c1c(-c2ccc(C)cc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC.
What is the InChIKey of dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The InChIKey is VCRVMFMMFARNAN-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-13(2)23-18-12-17(16-10-8-15(5)9-11-16)19(21(25)27-6)20(22(26)28-7)24(18)14(3)4/h8-14H,1-7H3/b23-18+.
What are the key properties of dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is sourced from PubChem (CID 146674995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).