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

C15H19N3O2 — CID 107467260

IUPACN-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)N1CCCCCC1
InChIInChI=1S/C15H19N3O2/c1-20-13-8-6-7-12(11-16)14(13)17-15(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyVVPNPLPKFGIXPT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.97
Rot. Bonds2

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

N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide (PubChem CID 107467260) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
PubChem CID107467260
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)N1CCCCCC1
InChIInChI=1S/C15H19N3O2/c1-20-13-8-6-7-12(11-16)14(13)17-15(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyVVPNPLPKFGIXPT-UHFFFAOYSA-N
XLogP2.97
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 107467458
N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
CID 107467309
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
CID 107467741
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
CID 107468020
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide (CID 107467260) is N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide is COc1cccc(C#N)c1NC(=O)N1CCCCCC1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide?
The InChIKey is VVPNPLPKFGIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-8-6-7-12(11-16)14(13)17-15(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-10H2,1H3,(H,17,19).
What are the key properties of N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide?
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide is sourced from PubChem (CID 107467260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).