4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide

C20H20N4O2 — CID 53312066

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)cn1
InChIInChI=1S/C20H20N4O2/c1-24(2)20(25)14-6-4-13(5-7-14)16-10-17(19(21)23-12-16)15-8-9-18(26-3)22-11-15/h4-12H,1-3H3,(H2,21,23)
InChIKeyPWSITNMVZZIHAY-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.10
Rot. Bonds4

About 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 53312066) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID53312066
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)cn1
InChIInChI=1S/C20H20N4O2/c1-24(2)20(25)14-6-4-13(5-7-14)16-10-17(19(21)23-12-16)15-8-9-18(26-3)22-11-15/h4-12H,1-3H3,(H2,21,23)
InChIKeyPWSITNMVZZIHAY-UHFFFAOYSA-N
XLogP3.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
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]-N,N-dimethylbenzamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide (CID 53312066) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide is COc1ccc(-c2cc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is PWSITNMVZZIHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(2)20(25)14-6-4-13(5-7-14)16-10-17(19(21)23-12-16)15-8-9-18(26-3)22-11-15/h4-12H,1-3H3,(H2,21,23).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 348.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 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]-N,N-dimethylbenzamide is sourced from PubChem (CID 53312066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).