N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide

C15H19N3O — CID 107174818

IUPACN-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C15H19N3O/c1-15(2)7-3-4-12(15)14(19)18-13-6-5-11(17)8-10(13)9-16/h5-6,8,12H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyPPDWNTPLYXRQTI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.91
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174818) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174818
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C15H19N3O/c1-15(2)7-3-4-12(15)14(19)18-13-6-5-11(17)8-10(13)9-16/h5-6,8,12H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyPPDWNTPLYXRQTI-UHFFFAOYSA-N
XLogP2.91
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
CID 43548995
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000204
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181388
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918053
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181267
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107174818) is N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ccc(N)cc1C#N.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is PPDWNTPLYXRQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)7-3-4-12(15)14(19)18-13-6-5-11(17)8-10(13)9-16/h5-6,8,12H,3-4,7,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).