dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate

C21H26N2O4 — CID 146674982

IUPACdimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC
InChIInChI=1S/C21H26N2O4/c1-13(2)22-17-12-16(15-10-8-7-9-11-15)18(20(24)26-5)19(21(25)27-6)23(17)14(3)4/h7-14H,1-6H3/b22-17+
InChIKeyWUUBHBYETMYGIR-OQKWZONESA-N
MW370.45 g/mol
LogP3.62
Rot. Bonds5

About dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate

dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (PubChem CID 146674982) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
PubChem CID146674982
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namedimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC
InChIInChI=1S/C21H26N2O4/c1-13(2)22-17-12-16(15-10-8-7-9-11-15)18(20(24)26-5)19(21(25)27-6)23(17)14(3)4/h7-14H,1-6H3/b22-17+
InChIKeyWUUBHBYETMYGIR-OQKWZONESA-N
XLogP3.62
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 1-isopropyl-6-(isopropylimino)-4-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675022
Methyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 146674959
Ethyl 1-isopropyl-6-(isopropylimino)-2-methyl-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 146674971
Dimethyl 1-isopropyl-6-(isopropylimino)-4-(p-tolyl)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674995
Dimethyl 4-(4-chlorophenyl)-1-isopropyl-6-(isopropylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674996
Dimethyl 1-isopropyl-6-(isopropylimino)-4-(4-methoxyphenyl)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675007
Diethyl-1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675009
Dimethyl 1-cyclohexyl-6-(cyclohexylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675026
Di-t-butyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675027
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 8286251
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate
CID 8552781
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate
CID 166202772

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (CID 146674982) is dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is COC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC.
What is the InChIKey of dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The InChIKey is WUUBHBYETMYGIR-OQKWZONESA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(2)22-17-12-16(15-10-8-7-9-11-15)18(20(24)26-5)19(21(25)27-6)23(17)14(3)4/h7-14H,1-6H3/b22-17+.
What are the key properties of dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is sourced from PubChem (CID 146674982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).