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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Related Compounds

4-[2-Amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
CID 44520782
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
ROCK inhibitor-2
CID 51003130
N-(2-(4-(3-cyanopyridin-2-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 49788869
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 53311068
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzamide
CID 53312149
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-morpholino-methanone
CID 53312150
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzamide
CID 53312151
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzoic acid
CID 53312152
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(3-hydroxypropyl)benzamide
CID 53312232
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-morpholinoethyl)benzamide
CID 53312237

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).