5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C16H19NO5 — CID 126650410

IUPAC5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOC(=O)C1=C(c2ccc(OC)cc2)CC(C)N(C(=O)O)C1
InChIInChI=1S/C16H19NO5/c1-10-8-13(11-4-6-12(21-2)7-5-11)14(15(18)22-3)9-17(10)16(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyRNNNYVKJLKMJLD-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.39
Rot. Bonds3

About 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 126650410) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID126650410
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOC(=O)C1=C(c2ccc(OC)cc2)CC(C)N(C(=O)O)C1
InChIInChI=1S/C16H19NO5/c1-10-8-13(11-4-6-12(21-2)7-5-11)14(15(18)22-3)9-17(10)16(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyRNNNYVKJLKMJLD-UHFFFAOYSA-N
XLogP2.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 126650410) is 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is COC(=O)C1=C(c2ccc(OC)cc2)CC(C)N(C(=O)O)C1.
What is the InChIKey of 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is RNNNYVKJLKMJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10-8-13(11-4-6-12(21-2)7-5-11)14(15(18)22-3)9-17(10)16(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 126650410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).