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

C22H28N2O5 — CID 146675007

IUPACdimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC
InChIInChI=1S/C22H28N2O5/c1-13(2)23-18-12-17(15-8-10-16(27-5)11-9-15)19(21(25)28-6)20(22(26)29-7)24(18)14(3)4/h8-14H,1-7H3/b23-18+
InChIKeyRPSGNHJQCPKGHK-PTGBLXJZSA-N
MW400.48 g/mol
LogP3.63
Rot. Bonds6

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

dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (PubChem CID 146675007) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
PubChem CID146675007
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Namedimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC
InChIInChI=1S/C22H28N2O5/c1-13(2)23-18-12-17(15-8-10-16(27-5)11-9-15)19(21(25)28-6)20(22(26)29-7)24(18)14(3)4/h8-14H,1-7H3/b23-18+
InChIKeyRPSGNHJQCPKGHK-PTGBLXJZSA-N
XLogP3.63
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 2088251
3-[4-[2-[2-Ethyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]ethoxy]phenyl]propanoic acid
CID 22137698
2-[4-oxo-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid
CID 58788385
Dimethyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674982
Diethyl-1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675009
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8666830
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667188
(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667414
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 45352578
(8-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46611154
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate
CID 51280492
2,6-Dimethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one
CID 18717791

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (CID 146675007) is dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is COC(=O)c1c(-c2ccc(OC)cc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OC.
What is the InChIKey of dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The InChIKey is RPSGNHJQCPKGHK-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-13(2)23-18-12-17(15-8-10-16(27-5)11-9-15)19(21(25)28-6)20(22(26)29-7)24(18)14(3)4/h8-14H,1-7H3/b23-18+.
What are the key properties of dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate has a molecular weight of 400.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-methoxyphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is sourced from PubChem (CID 146675007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).