methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate

C12H14N2O5 — CID 167003451

IUPACmethyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC2(C(=O)OC)CC2)c(N)c1
InChIInChI=1S/C12H14N2O5/c1-17-10(15)7-5-8(13)9(14-6-7)19-12(3-4-12)11(16)18-2/h5-6H,3-4,13H2,1-2H3
InChIKeyPRMWIGRPVSKKDH-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.53
Rot. Bonds4

About methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate

methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate (PubChem CID 167003451) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate
PubChem CID167003451
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Namemethyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC2(C(=O)OC)CC2)c(N)c1
InChIInChI=1S/C12H14N2O5/c1-17-10(15)7-5-8(13)9(14-6-7)19-12(3-4-12)11(16)18-2/h5-6H,3-4,13H2,1-2H3
InChIKeyPRMWIGRPVSKKDH-UHFFFAOYSA-N
XLogP0.53
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate
CID 168842871
methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
CID 130094865
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
methyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate
CID 142494934
methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate
CID 142496373
methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate
CID 118659752
methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
CID 59849870
(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
CID 169224427
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate (CID 167003451) is methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate is COC(=O)c1cnc(OC2(C(=O)OC)CC2)c(N)c1.
What is the InChIKey of methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate?
The InChIKey is PRMWIGRPVSKKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-17-10(15)7-5-8(13)9(14-6-7)19-12(3-4-12)11(16)18-2/h5-6H,3-4,13H2,1-2H3.
What are the key properties of methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate?
methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate is sourced from PubChem (CID 167003451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).