3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide

C15H24N4O2 — CID 79377004

IUPAC3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
SMILESCC(C)COc1nc(NCCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-10(2)9-21-15-12(16)5-6-13(19-15)17-8-7-14(20)18-11-3-4-11/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJXPCYNJCGDBRSN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.78
Rot. Bonds8

About 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide

3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide (PubChem CID 79377004) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
PubChem CID79377004
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
SMILESCC(C)COc1nc(NCCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-10(2)9-21-15-12(16)5-6-13(19-15)17-8-7-14(20)18-11-3-4-11/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJXPCYNJCGDBRSN-UHFFFAOYSA-N
XLogP1.78
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide (CID 79377004) is 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide is CC(C)COc1nc(NCCC(=O)NC2CC2)ccc1N.
What is the InChIKey of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide?
The InChIKey is JXPCYNJCGDBRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)9-21-15-12(16)5-6-13(19-15)17-8-7-14(20)18-11-3-4-11/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide?
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79377004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).