N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide

C13H19N3O — CID 113412006

IUPACN-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide
SMILESNC1(CNC(=O)CCc2ccccn2)CCC1
InChIInChI=1S/C13H19N3O/c14-13(7-3-8-13)10-16-12(17)6-5-11-4-1-2-9-15-11/h1-2,4,9H,3,5-8,10,14H2,(H,16,17)
InChIKeyUJEABJYJUNQLAO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.01
Rot. Bonds5

About N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide

N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide (PubChem CID 113412006) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide
PubChem CID113412006
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide
SMILESNC1(CNC(=O)CCc2ccccn2)CCC1
InChIInChI=1S/C13H19N3O/c14-13(7-3-8-13)10-16-12(17)6-5-11-4-1-2-9-15-11/h1-2,4,9H,3,5-8,10,14H2,(H,16,17)
InChIKeyUJEABJYJUNQLAO-UHFFFAOYSA-N
XLogP1.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
CID 75425844
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81485895
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
CID 81485528

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide (CID 113412006) is N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide is NC1(CNC(=O)CCc2ccccn2)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide?
The InChIKey is UJEABJYJUNQLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(7-3-8-13)10-16-12(17)6-5-11-4-1-2-9-15-11/h1-2,4,9H,3,5-8,10,14H2,(H,16,17).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide?
N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 113412006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).