methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate

C18H21NO4 — CID 175431840

IUPACmethyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
SMILESCCCc1nc(-c2ccc(OC)cc2)c(C)c(C(=O)OC)c1O
InChIInChI=1S/C18H21NO4/c1-5-6-14-17(20)15(18(21)23-4)11(2)16(19-14)12-7-9-13(22-3)10-8-12/h7-10,20H,5-6H2,1-4H3
InChIKeyVDEDMSFVHVDFGS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.51
Rot. Bonds5

About methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate

methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate (PubChem CID 175431840) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
PubChem CID175431840
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namemethyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
SMILESCCCc1nc(-c2ccc(OC)cc2)c(C)c(C(=O)OC)c1O
InChIInChI=1S/C18H21NO4/c1-5-6-14-17(20)15(18(21)23-4)11(2)16(19-14)12-7-9-13(22-3)10-8-12/h7-10,20H,5-6H2,1-4H3
InChIKeyVDEDMSFVHVDFGS-UHFFFAOYSA-N
XLogP3.51
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid
CID 175431890
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 90960617
5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
CID 71252696
4-(4-methoxyphenyl)-2-methyl-5-propyltriazole
CID 70307884
ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 139241108
methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
CID 102035727
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
methyl 3,4-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-methylbenzoate
CID 175431857
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate (CID 175431840) is methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate is CCCc1nc(-c2ccc(OC)cc2)c(C)c(C(=O)OC)c1O.
What is the InChIKey of methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate?
The InChIKey is VDEDMSFVHVDFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-5-6-14-17(20)15(18(21)23-4)11(2)16(19-14)12-7-9-13(22-3)10-8-12/h7-10,20H,5-6H2,1-4H3.
What are the key properties of methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate?
methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate is sourced from PubChem (CID 175431840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).