3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide

C12H13N3O2 — CID 115184826

IUPAC3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
SMILESN#CC1(C(=O)NCCc2cccnc2)COC1
InChIInChI=1S/C12H13N3O2/c13-7-12(8-17-9-12)11(16)15-5-3-10-2-1-4-14-6-10/h1-2,4,6H,3,5,8-9H2,(H,15,16)
InChIKeyVOTHAAJJBYLCNC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.28
Rot. Bonds4

About 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide

3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide (PubChem CID 115184826) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
PubChem CID115184826
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
SMILESN#CC1(C(=O)NCCc2cccnc2)COC1
InChIInChI=1S/C12H13N3O2/c13-7-12(8-17-9-12)11(16)15-5-3-10-2-1-4-14-6-10/h1-2,4,6H,3,5,8-9H2,(H,15,16)
InChIKeyVOTHAAJJBYLCNC-UHFFFAOYSA-N
XLogP0.28
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
3-cyano-N-[2-(1H-pyrrol-2-yl)ethyl]oxetane-3-carboxamide
CID 115184815
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
(5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
CID 164641046
3-cyano-N-[(3,4-dimethylphenyl)methyl]oxetane-3-carboxamide
CID 115184692
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide (CID 115184826) is 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide is N#CC1(C(=O)NCCc2cccnc2)COC1.
What is the InChIKey of 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide?
The InChIKey is VOTHAAJJBYLCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-12(8-17-9-12)11(16)15-5-3-10-2-1-4-14-6-10/h1-2,4,6H,3,5,8-9H2,(H,15,16).
What are the key properties of 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide?
3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115184826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).