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

C18H13N5O2 — CID 58349077

IUPAC3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
SMILESCc1ccc(Oc2cncc(NC(=O)c3cccc(C#N)c3)n2)cn1
InChIInChI=1S/C18H13N5O2/c1-12-5-6-15(9-21-12)25-17-11-20-10-16(22-17)23-18(24)14-4-2-3-13(7-14)8-19/h2-7,9-11H,1H3,(H,22,23,24)
InChIKeyAIEYCJQSSISNCJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.10
Rot. Bonds4

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

3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide (PubChem CID 58349077) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
PubChem CID58349077
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
SMILESCc1ccc(Oc2cncc(NC(=O)c3cccc(C#N)c3)n2)cn1
InChIInChI=1S/C18H13N5O2/c1-12-5-6-15(9-21-12)25-17-11-20-10-16(22-17)23-18(24)14-4-2-3-13(7-14)8-19/h2-7,9-11H,1H3,(H,22,23,24)
InChIKeyAIEYCJQSSISNCJ-UHFFFAOYSA-N
XLogP3.10
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
CID 58337642
3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
CID 58349120
3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
CID 58349175
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
3-fluoro-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
CID 118707792
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide;bis(3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide);3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 123844898
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
CID 61319190

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide (CID 58349077) is 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide is Cc1ccc(Oc2cncc(NC(=O)c3cccc(C#N)c3)n2)cn1.
What is the InChIKey of 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The InChIKey is AIEYCJQSSISNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c1-12-5-6-15(9-21-12)25-17-11-20-10-16(22-17)23-18(24)14-4-2-3-13(7-14)8-19/h2-7,9-11H,1H3,(H,22,23,24).
What are the key properties of 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide has a molecular weight of 331.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58349077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).