1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide

C13H15N3O — CID 78995084

IUPAC1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2cccnc2)CCC1
InChIInChI=1S/C13H15N3O/c14-10-13(5-2-6-13)12(17)16-8-4-11-3-1-7-15-9-11/h1,3,7,9H,2,4-6,8H2,(H,16,17)
InChIKeyWNKKSUFLKMLMRH-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.43
Rot. Bonds4

About 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide

1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide (PubChem CID 78995084) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
PubChem CID78995084
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2cccnc2)CCC1
InChIInChI=1S/C13H15N3O/c14-10-13(5-2-6-13)12(17)16-8-4-11-3-1-7-15-9-11/h1,3,7,9H,2,4-6,8H2,(H,16,17)
InChIKeyWNKKSUFLKMLMRH-UHFFFAOYSA-N
XLogP1.43
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
CID 115184826
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921578
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700270
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide (CID 78995084) is 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NCCc2cccnc2)CCC1.
What is the InChIKey of 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is WNKKSUFLKMLMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-10-13(5-2-6-13)12(17)16-8-4-11-3-1-7-15-9-11/h1,3,7,9H,2,4-6,8H2,(H,16,17).
What are the key properties of 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78995084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).