N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide

C14H16ClN3O2 — CID 71969643

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCOc2ccc(Cl)cn2)CCCC1
InChIInChI=1S/C14H16ClN3O2/c15-11-3-4-12(18-9-11)20-8-7-17-13(19)14(10-16)5-1-2-6-14/h3-4,9H,1-2,5-8H2,(H,17,19)
InChIKeySSROKKALGAIYHK-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.31
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide (PubChem CID 71969643) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide
PubChem CID71969643
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCOc2ccc(Cl)cn2)CCCC1
InChIInChI=1S/C14H16ClN3O2/c15-11-3-4-12(18-9-11)20-8-7-17-13(19)14(10-16)5-1-2-6-14/h3-4,9H,1-2,5-8H2,(H,17,19)
InChIKeySSROKKALGAIYHK-UHFFFAOYSA-N
XLogP2.31
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide (CID 71969643) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide is N#CC1(C(=O)NCCOc2ccc(Cl)cn2)CCCC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide?
The InChIKey is SSROKKALGAIYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-3-4-12(18-9-11)20-8-7-17-13(19)14(10-16)5-1-2-6-14/h3-4,9H,1-2,5-8H2,(H,17,19).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 71969643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).