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

C14H17N3O2 — CID 107467835

IUPAC2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CCCC1N
InChIInChI=1S/C14H17N3O2/c1-19-12-7-2-4-9(8-15)13(12)17-14(18)10-5-3-6-11(10)16/h2,4,7,10-11H,3,5-6,16H2,1H3,(H,17,18)
InChIKeyFBFPRRDZYLMSNL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds3

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

2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 107467835) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID107467835
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CCCC1N
InChIInChI=1S/C14H17N3O2/c1-19-12-7-2-4-9(8-15)13(12)17-14(18)10-5-3-6-11(10)16/h2,4,7,10-11H,3,5-6,16H2,1H3,(H,17,18)
InChIKeyFBFPRRDZYLMSNL-UHFFFAOYSA-N
XLogP1.63
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
CID 107467741
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
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-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
2-amino-N-[1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683016
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide (CID 107467835) is 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide is COc1cccc(C#N)c1NC(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is FBFPRRDZYLMSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-12-7-2-4-9(8-15)13(12)17-14(18)10-5-3-6-11(10)16/h2,4,7,10-11H,3,5-6,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide?
2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.63, 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)cyclopentane-1-carboxamide is sourced from PubChem (CID 107467835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).