N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide

C13H15N3O2 — CID 114105635

IUPACN-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C13H15N3O2/c1-2-11-10(5-6-18-11)13(17)16-12-4-3-9(7-14)8-15-12/h3-4,8,10-11H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyWKIRSRHNDRMUKP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds3

About N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide

N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide (PubChem CID 114105635) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
PubChem CID114105635
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C13H15N3O2/c1-2-11-10(5-6-18-11)13(17)16-12-4-3-9(7-14)8-15-12/h3-4,8,10-11H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyWKIRSRHNDRMUKP-UHFFFAOYSA-N
XLogP1.71
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide (CID 114105635) is N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide?
The InChIKey is WKIRSRHNDRMUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-11-10(5-6-18-11)13(17)16-12-4-3-9(7-14)8-15-12/h3-4,8,10-11H,2,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide?
N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 114105635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).