1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide

C14H17N3O — CID 47413974

IUPAC1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H17N3O/c1-17(10-12-4-8-16-9-5-12)13(18)14(11-15)6-2-3-7-14/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyJBFHBBYGMGXHQY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.12
Rot. Bonds3

About 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide

1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 47413974) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
PubChem CID47413974
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H17N3O/c1-17(10-12-4-8-16-9-5-12)13(18)14(11-15)6-2-3-7-14/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyJBFHBBYGMGXHQY-UHFFFAOYSA-N
XLogP2.12
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 78994705
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 61482749
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 103668302
N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 115183752
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
2-(1-aminocyclopentyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 64684189
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115183346

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide (CID 47413974) is 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide is CN(Cc1ccncc1)C(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is JBFHBBYGMGXHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(10-12-4-8-16-9-5-12)13(18)14(11-15)6-2-3-7-14/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 47413974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).