2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide

C11H14N4O — CID 107338684

IUPAC2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide
SMILESCC(C#N)CNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C11H14N4O/c1-8(5-12)6-15-11(16)4-10-3-2-9(13)7-14-10/h2-3,7-8H,4,6,13H2,1H3,(H,15,16)
InChIKeyYXDWFUVCYOOQRT-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.48
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide

2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide (PubChem CID 107338684) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide
PubChem CID107338684
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide
SMILESCC(C#N)CNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C11H14N4O/c1-8(5-12)6-15-11(16)4-10-3-2-9(13)7-14-10/h2-3,7-8H,4,6,13H2,1H3,(H,15,16)
InChIKeyYXDWFUVCYOOQRT-UHFFFAOYSA-N
XLogP0.48
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
2-(5-amino-2-pyridinyl)-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 120632231
5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid
CID 107339460
2-(5-amino-2-pyridinyl)-N-(1-cyanopropan-2-yl)acetamide
CID 107338629
2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide
CID 107339707
2-(5-amino-2-pyridinyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 107338304
2-(5-amino-2-pyridinyl)-N-(2-ethylhexyl)acetamide
CID 107338276
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(5-amino-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 120635774

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide (CID 107338684) is 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide is CC(C#N)CNC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide?
The InChIKey is YXDWFUVCYOOQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(5-12)6-15-11(16)4-10-3-2-9(13)7-14-10/h2-3,7-8H,4,6,13H2,1H3,(H,15,16).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.48, 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-cyanopropyl)acetamide is sourced from PubChem (CID 107338684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).