2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide

C13H19N3O — CID 114094154

IUPAC2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
SMILESCCC1(CNC(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C13H19N3O/c1-2-13(5-6-13)9-16-12(17)7-11-4-3-10(14)8-15-11/h3-4,8H,2,5-7,9,14H2,1H3,(H,16,17)
InChIKeyPXXBIXGFHUVSFJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.51
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide

2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide (PubChem CID 114094154) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
PubChem CID114094154
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
SMILESCCC1(CNC(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C13H19N3O/c1-2-13(5-6-13)9-16-12(17)7-11-4-3-10(14)8-15-11/h3-4,8H,2,5-7,9,14H2,1H3,(H,16,17)
InChIKeyPXXBIXGFHUVSFJ-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 120635774
1-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107339432
2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 120617410
2-(5-amino-2-pyridinyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 107339008
2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride
CID 119812218
2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
CID 119782137
2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 107338192
2-(5-amino-2-pyridinyl)-N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 120633539

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide (CID 114094154) is 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide is CCC1(CNC(=O)Cc2ccc(N)cn2)CC1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide?
The InChIKey is PXXBIXGFHUVSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-13(5-6-13)9-16-12(17)7-11-4-3-10(14)8-15-11/h3-4,8H,2,5-7,9,14H2,1H3,(H,16,17).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide?
2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 114094154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).