methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate

C13H18N2O4 — CID 114195676

IUPACmethyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1OCC1CCOCC1
InChIInChI=1S/C13H18N2O4/c1-17-13(16)10-6-12(14)15-7-11(10)19-8-9-2-4-18-5-3-9/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyUGPKMQQFOAZFHS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate

methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate (PubChem CID 114195676) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
PubChem CID114195676
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1OCC1CCOCC1
InChIInChI=1S/C13H18N2O4/c1-17-13(16)10-6-12(14)15-7-11(10)19-8-9-2-4-18-5-3-9/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyUGPKMQQFOAZFHS-UHFFFAOYSA-N
XLogP1.26
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-fluoro-5-(oxan-4-ylmethoxy)benzoate
CID 62383203
methyl 2-amino-3-(oxan-4-ylmethoxy)benzoate
CID 113333341
methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
CID 114194866
methyl 5-chlorosulfonyl-2-(oxan-4-ylmethoxy)benzoate
CID 135352785
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate
CID 114195170
methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
CID 114195070
oxan-4-ylmethyl 4-amino-3-methoxybenzoate
CID 104783939
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
methyl 2-(cyclopropylmethoxy)-5-iodobenzoate
CID 59193408
methyl 6-chlorosulfonyl-3-(oxan-4-ylmethoxy)pyridine-2-carboxylate
CID 138518286

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate (CID 114195676) is methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1OCC1CCOCC1.
What is the InChIKey of methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
The InChIKey is UGPKMQQFOAZFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-13(16)10-6-12(14)15-7-11(10)19-8-9-2-4-18-5-3-9/h6-7,9H,2-5,8H2,1H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 114195676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).