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

C14H17N3O — CID 55141779

IUPAC1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(N)CCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-17(12-6-4-11(10-15)5-7-12)13(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9,16H2,1H3
InChIKeyKKRDMXKMZJVVPQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds2

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

1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 55141779) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
PubChem CID55141779
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(N)CCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-17(12-6-4-11(10-15)5-7-12)13(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9,16H2,1H3
InChIKeyKKRDMXKMZJVVPQ-UHFFFAOYSA-N
XLogP1.79
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825
1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119302215
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 119320851
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119706037
1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide
CID 115442115
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid
CID 65243369
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide (CID 55141779) is 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide is CN(C(=O)C1(N)CCCC1)c1ccc(C#N)cc1.
What is the InChIKey of 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is KKRDMXKMZJVVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(12-6-4-11(10-15)5-7-12)13(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9,16H2,1H3.
What are the key properties of 1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide?
1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.79, 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 55141779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).