methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate

C13H19N3O3 — CID 114195372

IUPACmethyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC1(C)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-13(3-5-19-6-4-13)16-10-8-15-11(14)7-9(10)12(17)18-2/h7-8,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyWEIPOFLPMKVHKV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds3

About methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate

methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate (PubChem CID 114195372) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
PubChem CID114195372
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC1(C)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-13(3-5-19-6-4-13)16-10-8-15-11(14)7-9(10)12(17)18-2/h7-8,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyWEIPOFLPMKVHKV-UHFFFAOYSA-N
XLogP1.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
CID 114194866
methyl 5-amino-2-[(1-methylcyclopentyl)amino]benzoate
CID 64688672
methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
CID 114195676
ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
CID 114075090
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
CID 114090606
methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate
CID 114195046
methyl 2-amino-5-(thian-3-ylamino)pyridine-4-carboxylate
CID 114195380
methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
CID 114194762
methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate
CID 114194731
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate
CID 114195371

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate (CID 114195372) is methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1NC1(C)CCOCC1.
What is the InChIKey of methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate?
The InChIKey is WEIPOFLPMKVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(3-5-19-6-4-13)16-10-8-15-11(14)7-9(10)12(17)18-2/h7-8,16H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate?
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114195372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).