methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate

C11H17N3O3 — CID 43261097

IUPACmethyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
SMILESCCCOc1nc(NCC(=O)OC)ccc1N
InChIInChI=1S/C11H17N3O3/c1-3-6-17-11-8(12)4-5-9(14-11)13-7-10(15)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyKSTHFYLBCSCEJV-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.04
Rot. Bonds6

About methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate

methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate (PubChem CID 43261097) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
PubChem CID43261097
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
SMILESCCCOc1nc(NCC(=O)OC)ccc1N
InChIInChI=1S/C11H17N3O3/c1-3-6-17-11-8(12)4-5-9(14-11)13-7-10(15)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyKSTHFYLBCSCEJV-UHFFFAOYSA-N
XLogP1.04
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525
methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
CID 61295169
2-[(5-amino-6-propoxy-2-pyridinyl)amino]propanamide
CID 43545441
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
2-[(5-amino-6-methoxy-2-pyridinyl)amino]acetamide
CID 43260954
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol
CID 55172554
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334326
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate (CID 43261097) is methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate is CCCOc1nc(NCC(=O)OC)ccc1N.
What is the InChIKey of methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate?
The InChIKey is KSTHFYLBCSCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-6-17-11-8(12)4-5-9(14-11)13-7-10(15)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate?
methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate has a molecular weight of 239.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate is sourced from PubChem (CID 43261097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).