2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide

C16H21N3O2 — CID 107467741

IUPAC2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CCCCCC1N
InChIInChI=1S/C16H21N3O2/c1-21-14-9-5-6-11(10-17)15(14)19-16(20)12-7-3-2-4-8-13(12)18/h5-6,9,12-13H,2-4,7-8,18H2,1H3,(H,19,20)
InChIKeyVUOCRAMMGJJXFA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide

2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide (PubChem CID 107467741) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
PubChem CID107467741
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CCCCCC1N
InChIInChI=1S/C16H21N3O2/c1-21-14-9-5-6-11(10-17)15(14)19-16(20)12-7-3-2-4-8-13(12)18/h5-6,9,12-13H,2-4,7-8,18H2,1H3,(H,19,20)
InChIKeyVUOCRAMMGJJXFA-UHFFFAOYSA-N
XLogP2.41
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
CID 107467835
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide (CID 107467741) is 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide is COc1cccc(C#N)c1NC(=O)C1CCCCCC1N.
What is the InChIKey of 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide?
The InChIKey is VUOCRAMMGJJXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-14-9-5-6-11(10-17)15(14)19-16(20)12-7-3-2-4-8-13(12)18/h5-6,9,12-13H,2-4,7-8,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide?
2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 107467741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).