1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide

C14H13N3O2 — CID 107468358

IUPAC1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C14H13N3O2/c1-19-11-5-2-4-10(8-15)12(11)17-13(18)14(9-16)6-3-7-14/h2,4-5H,3,6-7H2,1H3,(H,17,18)
InChIKeyLHDFIXPPNPMZJV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.20
Rot. Bonds3

About 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide

1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 107468358) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
PubChem CID107468358
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C14H13N3O2/c1-19-11-5-2-4-10(8-15)12(11)17-13(18)14(9-16)6-3-7-14/h2,4-5H,3,6-7H2,1H3,(H,17,18)
InChIKeyLHDFIXPPNPMZJV-UHFFFAOYSA-N
XLogP2.20
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107467735
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
CID 107468020
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide (CID 107468358) is 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide is COc1cccc(C#N)c1NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is LHDFIXPPNPMZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-11-5-2-4-10(8-15)12(11)17-13(18)14(9-16)6-3-7-14/h2,4-5H,3,6-7H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107468358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).