4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide

C13H19N3O — CID 110479887

IUPAC4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
SMILESNCCCC(=O)NCC1(c2ccccn2)CC1
InChIInChI=1S/C13H19N3O/c14-8-3-5-12(17)16-10-13(6-7-13)11-4-1-2-9-15-11/h1-2,4,9H,3,5-8,10,14H2,(H,16,17)
InChIKeyJGCKXBFNMLWQOR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.97
Rot. Bonds6

About 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide

4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide (PubChem CID 110479887) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
PubChem CID110479887
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
SMILESNCCCC(=O)NCC1(c2ccccn2)CC1
InChIInChI=1S/C13H19N3O/c14-8-3-5-12(17)16-10-13(6-7-13)11-4-1-2-9-15-11/h1-2,4,9H,3,5-8,10,14H2,(H,16,17)
InChIKeyJGCKXBFNMLWQOR-UHFFFAOYSA-N
XLogP0.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
CID 86789127
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 110483352
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide (CID 110479887) is 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide is NCCCC(=O)NCC1(c2ccccn2)CC1.
What is the InChIKey of 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide?
The InChIKey is JGCKXBFNMLWQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-8-3-5-12(17)16-10-13(6-7-13)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 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide?
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide has a molecular weight of 233.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 110479887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).