4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid

C18H15N3O3 — CID 53312152

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1
InChIInChI=1S/C18H15N3O3/c1-24-16-7-6-13(9-20-16)15-8-14(10-21-17(15)19)11-2-4-12(5-3-11)18(22)23/h2-10H,1H3,(H2,19,21)(H,22,23)
InChIKeyVFLWDRICFHCSKI-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.10
Rot. Bonds4

About 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid (PubChem CID 53312152) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid
PubChem CID53312152
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1
InChIInChI=1S/C18H15N3O3/c1-24-16-7-6-13(9-20-16)15-8-14(10-21-17(15)19)11-2-4-12(5-3-11)18(22)23/h2-10H,1H3,(H2,19,21)(H,22,23)
InChIKeyVFLWDRICFHCSKI-UHFFFAOYSA-N
XLogP3.10
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid (CID 53312152) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid is COc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid?
The InChIKey is VFLWDRICFHCSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-24-16-7-6-13(9-20-16)15-8-14(10-21-17(15)19)11-2-4-12(5-3-11)18(22)23/h2-10H,1H3,(H2,19,21)(H,22,23).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid has a molecular weight of 321.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 53312152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).