2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide

C12H16N4O — CID 107339707

IUPAC2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide
SMILESCC(C)(C#N)CNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H16N4O/c1-12(2,7-13)8-16-11(17)5-10-4-3-9(14)6-15-10/h3-4,6H,5,8,14H2,1-2H3,(H,16,17)
InChIKeyCWYKTJXFHVNULX-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.87
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide

2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide (PubChem CID 107339707) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide
PubChem CID107339707
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide
SMILESCC(C)(C#N)CNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H16N4O/c1-12(2,7-13)8-16-11(17)5-10-4-3-9(14)6-15-10/h3-4,6H,5,8,14H2,1-2H3,(H,16,17)
InChIKeyCWYKTJXFHVNULX-UHFFFAOYSA-N
XLogP0.87
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-(2-methyl-2-phenylpropyl)acetamide;hydrochloride
CID 120622496
2-(5-amino-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 107337382
2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide
CID 107338684
2-(5-amino-2-pyridinyl)-N-tert-butylacetamide
CID 107337327
2-(5-amino-2-pyridinyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 107339275
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(5-amino-2-pyridinyl)-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 120632231
2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-2-methylpropanamide
CID 107338248
2-(5-amino-2-pyridinyl)-N-(2-cyclopropylethyl)acetamide;hydrochloride
CID 120633863
2-(5-amino-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 120635774
2-(5-amino-2-pyridinyl)-N-(1-cyanopropan-2-yl)acetamide
CID 107338629

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide (CID 107339707) is 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide is CC(C)(C#N)CNC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide?
The InChIKey is CWYKTJXFHVNULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,7-13)8-16-11(17)5-10-4-3-9(14)6-15-10/h3-4,6H,5,8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide has a molecular weight of 232.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide is sourced from PubChem (CID 107339707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).