1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide

C12H13N3O — CID 65464094

IUPAC1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(N)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C12H13N3O/c1-15(11(16)12(14)6-7-12)10-4-2-9(8-13)3-5-10/h2-5H,6-7,14H2,1H3
InChIKeyDYYCZDFFZPSFDF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.01
Rot. Bonds2

About 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide

1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 65464094) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID65464094
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(N)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C12H13N3O/c1-15(11(16)12(14)6-7-12)10-4-2-9(8-13)3-5-10/h2-5H,6-7,14H2,1H3
InChIKeyDYYCZDFFZPSFDF-UHFFFAOYSA-N
XLogP1.01
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
CID 55141779
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CID 115442115
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
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1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119302215
1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 119320851
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide (CID 65464094) is 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(N)CC1)c1ccc(C#N)cc1.
What is the InChIKey of 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is DYYCZDFFZPSFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15(11(16)12(14)6-7-12)10-4-2-9(8-13)3-5-10/h2-5H,6-7,14H2,1H3.
What are the key properties of 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide?
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 65464094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).