N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide

C12H17N3O — CID 114289940

IUPACN-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide
SMILESNC1CC(NC(=O)CCc2ccncc2)C1
InChIInChI=1S/C12H17N3O/c13-10-7-11(8-10)15-12(16)2-1-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8,13H2,(H,15,16)
InChIKeyXQYSPDBFYVOZJE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.62
Rot. Bonds4

About N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide

N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide (PubChem CID 114289940) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide
PubChem CID114289940
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide
SMILESNC1CC(NC(=O)CCc2ccncc2)C1
InChIInChI=1S/C12H17N3O/c13-10-7-11(8-10)15-12(16)2-1-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8,13H2,(H,15,16)
InChIKeyXQYSPDBFYVOZJE-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)-2-pyridin-4-ylacetamide
CID 43594929
N-[(1R,2R)-2-aminocyclohexyl]-3-pyridin-4-ylpropanamide
CID 113265421
N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
CID 104957512
N-(3-aminocyclobutyl)-3-(furan-2-yl)propanamide
CID 43594940
N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
CID 146086990
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 81478902
N-(3-aminocyclobutyl)-2-(4-methylphenyl)acetamide
CID 43594870
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide (CID 114289940) is N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide is NC1CC(NC(=O)CCc2ccncc2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide?
The InChIKey is XQYSPDBFYVOZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-7-11(8-10)15-12(16)2-1-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8,13H2,(H,15,16).
What are the key properties of N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide?
N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide has a molecular weight of 219.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 114289940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).