4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide

C13H22N4O2 — CID 60863727

IUPAC4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
SMILESCC(C)COc1nc(NCCCC(N)=O)ccc1N
InChIInChI=1S/C13H22N4O2/c1-9(2)8-19-13-10(14)5-6-12(17-13)16-7-3-4-11(15)18/h5-6,9H,3-4,7-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyZCSGHIHOYRICOP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.38
Rot. Bonds8

About 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide

4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide (PubChem CID 60863727) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide.

Molecular Properties

Compound Name4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
PubChem CID60863727
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
SMILESCC(C)COc1nc(NCCCC(N)=O)ccc1N
InChIInChI=1S/C13H22N4O2/c1-9(2)8-19-13-10(14)5-6-12(17-13)16-7-3-4-11(15)18/h5-6,9H,3-4,7-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyZCSGHIHOYRICOP-UHFFFAOYSA-N
XLogP1.38
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
CID 79377004
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62636467
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]pentan-2-ol
CID 114146045
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62975170
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol
CID 106251317
6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 106324765

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide?
The IUPAC name of 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide (CID 60863727) is 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide.
What is the SMILES notation for 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide?
The canonical SMILES for 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide is CC(C)COc1nc(NCCCC(N)=O)ccc1N.
What is the InChIKey of 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide?
The InChIKey is ZCSGHIHOYRICOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)8-19-13-10(14)5-6-12(17-13)16-7-3-4-11(15)18/h5-6,9H,3-4,7-8,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide?
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide is sourced from PubChem (CID 60863727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).