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

C18H16N4O2 — CID 53312151

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H16N4O2/c1-24-16-7-6-13(9-21-16)15-8-14(10-22-17(15)19)11-2-4-12(5-3-11)18(20)23/h2-10H,1H3,(H2,19,22)(H2,20,23)
InChIKeyVNASXZBCMQENRS-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.50
Rot. Bonds4

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

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide (PubChem CID 53312151) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide
PubChem CID53312151
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H16N4O2/c1-24-16-7-6-13(9-21-16)15-8-14(10-22-17(15)19)11-2-4-12(5-3-11)18(20)23/h2-10H,1H3,(H2,19,22)(H2,20,23)
InChIKeyVNASXZBCMQENRS-UHFFFAOYSA-N
XLogP2.50
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.50
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]benzamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide (CID 53312151) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide is COc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide?
The InChIKey is VNASXZBCMQENRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-16-7-6-13(9-21-16)15-8-14(10-22-17(15)19)11-2-4-12(5-3-11)18(20)23/h2-10H,1H3,(H2,19,22)(H2,20,23).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.50, 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]benzamide is sourced from PubChem (CID 53312151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).