1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide

C14H17N3O — CID 103668302

IUPAC1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1(C#N)CCCC1)c1ccncc1
InChIInChI=1S/C14H17N3O/c1-2-17(12-5-9-16-10-6-12)13(18)14(11-15)7-3-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyIFAAXSRGEODVDF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.52
Rot. Bonds3

About 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide

1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide (PubChem CID 103668302) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide
PubChem CID103668302
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1(C#N)CCCC1)c1ccncc1
InChIInChI=1S/C14H17N3O/c1-2-17(12-5-9-16-10-6-12)13(18)14(11-15)7-3-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyIFAAXSRGEODVDF-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
N,4-diethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 106935306
1-carbamothioyl-N-ethyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 106935854
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
1-cyano-N,N-dipropylcyclopentane-1-carboxamide
CID 60719042
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 61482749
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide (CID 103668302) is 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide is CCN(C(=O)C1(C#N)CCCC1)c1ccncc1.
What is the InChIKey of 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The InChIKey is IFAAXSRGEODVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17(12-5-9-16-10-6-12)13(18)14(11-15)7-3-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 103668302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).