N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C15H17N3O — CID 107805027

IUPACN-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(NC(=O)C2CC3CCC2N3)c1C#N
InChIInChI=1S/C15H17N3O/c1-9-3-2-4-13(12(9)8-16)18-15(19)11-7-10-5-6-14(11)17-10/h2-4,10-11,14,17H,5-7H2,1H3,(H,18,19)
InChIKeyUEKVEARYZPXDPS-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.95
Rot. Bonds2

About N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107805027) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107805027
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(NC(=O)C2CC3CCC2N3)c1C#N
InChIInChI=1S/C15H17N3O/c1-9-3-2-4-13(12(9)8-16)18-15(19)11-7-10-5-6-14(11)17-10/h2-4,10-11,14,17H,5-7H2,1H3,(H,18,19)
InChIKeyUEKVEARYZPXDPS-UHFFFAOYSA-N
XLogP1.95
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114003196
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 82016005
N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide
CID 102676289
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022
N-(2,5-dimethyl-4-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103145425
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 107805027) is N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is Cc1cccc(NC(=O)C2CC3CCC2N3)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UEKVEARYZPXDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-3-2-4-13(12(9)8-16)18-15(19)11-7-10-5-6-14(11)17-10/h2-4,10-11,14,17H,5-7H2,1H3,(H,18,19).
What are the key properties of N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107805027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).