2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide

C11H16N4O2 — CID 43568213

IUPAC2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
SMILESCOc1nc(NCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C11H16N4O2/c1-17-11-8(12)4-5-9(15-11)13-6-10(16)14-7-2-3-7/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyHFQXUNCSHMBKEM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.36
Rot. Bonds5

About 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide

2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide (PubChem CID 43568213) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
PubChem CID43568213
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
SMILESCOc1nc(NCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C11H16N4O2/c1-17-11-8(12)4-5-9(15-11)13-6-10(16)14-7-2-3-7/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyHFQXUNCSHMBKEM-UHFFFAOYSA-N
XLogP0.36
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide (CID 43568213) is 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide is COc1nc(NCC(=O)NC2CC2)ccc1N.
What is the InChIKey of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide?
The InChIKey is HFQXUNCSHMBKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11-8(12)4-5-9(15-11)13-6-10(16)14-7-2-3-7/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide?
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide has a molecular weight of 236.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 43568213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).