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

C12H17N3O — CID 115161689

IUPAC3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCCc2cccnc2)C1
InChIInChI=1S/C12H17N3O/c13-11-6-10(7-11)12(16)15-5-3-9-2-1-4-14-8-9/h1-2,4,8,10-11H,3,5-7,13H2,(H,15,16)
InChIKeyBPNGTEBALSEYDX-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.48
Rot. Bonds4

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

3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide (PubChem CID 115161689) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
PubChem CID115161689
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCCc2cccnc2)C1
InChIInChI=1S/C12H17N3O/c13-11-6-10(7-11)12(16)15-5-3-9-2-1-4-14-8-9/h1-2,4,8,10-11H,3,5-7,13H2,(H,15,16)
InChIKeyBPNGTEBALSEYDX-UHFFFAOYSA-N
XLogP0.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
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N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
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(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178129
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
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4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide (CID 115161689) is 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide is NC1CC(C(=O)NCCc2cccnc2)C1.
What is the InChIKey of 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is BPNGTEBALSEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-6-10(7-11)12(16)15-5-3-9-2-1-4-14-8-9/h1-2,4,8,10-11H,3,5-7,13H2,(H,15,16).
What are the key properties of 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide?
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115161689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).