2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid

C18H20Cl2N2O5 — CID 20732348

IUPAC2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid
SMILESCOc1ccc(Oc2c(Cl)c(NCC(=O)O)nc(OC)c2Cl)cc1C(C)C
InChIInChI=1S/C18H20Cl2N2O5/c1-9(2)11-7-10(5-6-12(11)25-3)27-16-14(19)17(21-8-13(23)24)22-18(26-4)15(16)20/h5-7,9H,8H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyUFMVLKUFEVUXRK-UHFFFAOYSA-N
MW415.27 g/mol
LogP4.82
Rot. Bonds8

About 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid

2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid (PubChem CID 20732348) has the molecular formula C18H20Cl2N2O5 and a molecular weight of 415.27 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid
PubChem CID20732348
Molecular FormulaC18H20Cl2N2O5
Molecular Weight415.27 g/mol
Exact Mass414.07
IUPAC Name2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid
SMILESCOc1ccc(Oc2c(Cl)c(NCC(=O)O)nc(OC)c2Cl)cc1C(C)C
InChIInChI=1S/C18H20Cl2N2O5/c1-9(2)11-7-10(5-6-12(11)25-3)27-16-14(19)17(21-8-13(23)24)22-18(26-4)15(16)20/h5-7,9H,8H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyUFMVLKUFEVUXRK-UHFFFAOYSA-N
XLogP4.82
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid (CID 20732348) is 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid is COc1ccc(Oc2c(Cl)c(NCC(=O)O)nc(OC)c2Cl)cc1C(C)C.
What is the InChIKey of 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid?
The InChIKey is UFMVLKUFEVUXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O5/c1-9(2)11-7-10(5-6-12(11)25-3)27-16-14(19)17(21-8-13(23)24)22-18(26-4)15(16)20/h5-7,9H,8H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid?
2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid has a molecular weight of 415.27 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 20732348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).