5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid

C18H17N3O5 — CID 66986393

IUPAC5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccc(Oc2nccnc2C2=CN(C(=O)O)CCC2)cc1
InChIInChI=1S/C18H17N3O5/c1-25-17(22)12-4-6-14(7-5-12)26-16-15(19-8-9-20-16)13-3-2-10-21(11-13)18(23)24/h4-9,11H,2-3,10H2,1H3,(H,23,24)
InChIKeyRWPBNEWTLRVEHB-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.17
Rot. Bonds4

About 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid

5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 66986393) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID66986393
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccc(Oc2nccnc2C2=CN(C(=O)O)CCC2)cc1
InChIInChI=1S/C18H17N3O5/c1-25-17(22)12-4-6-14(7-5-12)26-16-15(19-8-9-20-16)13-3-2-10-21(11-13)18(23)24/h4-9,11H,2-3,10H2,1H3,(H,23,24)
InChIKeyRWPBNEWTLRVEHB-UHFFFAOYSA-N
XLogP3.17
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 66986393) is 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid is COC(=O)c1ccc(Oc2nccnc2C2=CN(C(=O)O)CCC2)cc1.
What is the InChIKey of 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is RWPBNEWTLRVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-25-17(22)12-4-6-14(7-5-12)26-16-15(19-8-9-20-16)13-3-2-10-21(11-13)18(23)24/h4-9,11H,2-3,10H2,1H3,(H,23,24).
What are the key properties of 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxycarbonylphenoxy)pyrazin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 66986393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).