3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide

C18H16N4O2 — CID 58349098

IUPAC3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1
InChIInChI=1S/C18H16N4O2/c1-12-4-3-5-14(8-12)18(23)22-16-10-19-11-17(21-16)24-15-7-6-13(2)20-9-15/h3-11H,1-2H3,(H,21,22,23)
InChIKeyNKJKVZAUIKCFDJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.53
Rot. Bonds4

About 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide

3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide (PubChem CID 58349098) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
PubChem CID58349098
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1
InChIInChI=1S/C18H16N4O2/c1-12-4-3-5-14(8-12)18(23)22-16-10-19-11-17(21-16)24-15-7-6-13(2)20-9-15/h3-11H,1-2H3,(H,21,22,23)
InChIKeyNKJKVZAUIKCFDJ-UHFFFAOYSA-N
XLogP3.53
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide (CID 58349098) is 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide is Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1.
What is the InChIKey of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The InChIKey is NKJKVZAUIKCFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-4-3-5-14(8-12)18(23)22-16-10-19-11-17(21-16)24-15-7-6-13(2)20-9-15/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide has a molecular weight of 320.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58349098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).