2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide

C11H17N3O — CID 107337332

IUPAC2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C11H17N3O/c1-3-8(2)14-11(15)6-10-5-4-9(12)7-13-10/h4-5,7-8H,3,6,12H2,1-2H3,(H,14,15)
InChIKeyKKKFATWFVLRCSE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.12
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide

2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide (PubChem CID 107337332) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
PubChem CID107337332
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C11H17N3O/c1-3-8(2)14-11(15)6-10-5-4-9(12)7-13-10/h4-5,7-8H,3,6,12H2,1-2H3,(H,14,15)
InChIKeyKKKFATWFVLRCSE-UHFFFAOYSA-N
XLogP1.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(5-hydroxypentan-2-yl)acetamide
CID 107339254
methyl 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]butanoate
CID 120618929
2-(5-amino-2-pyridinyl)-N-(1-cyanopropan-2-yl)acetamide
CID 107338629
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-(5-amino-2-pyridinyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 107339685
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
(2R)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbutanoic acid
CID 107339052
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 120617873
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 107338218
2-(5-amino-2-pyridinyl)-N-[1-(4-tert-butylphenyl)ethyl]acetamide
CID 120621513
2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide (CID 107337332) is 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide is CCC(C)NC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide?
The InChIKey is KKKFATWFVLRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-8(2)14-11(15)6-10-5-4-9(12)7-13-10/h4-5,7-8H,3,6,12H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide?
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide has a molecular weight of 207.28 g/mol, XLogP of 1.12, 4 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-butan-2-ylacetamide is sourced from PubChem (CID 107337332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).