methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate

C14H21N3O5 — CID 67356334

IUPACmethyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCCOc1nc(N)c(NC(=O)OC(C)(C)C)cc1C(=O)OC
InChIInChI=1S/C14H21N3O5/c1-6-21-11-8(12(18)20-5)7-9(10(15)17-11)16-13(19)22-14(2,3)4/h7H,6H2,1-5H3,(H2,15,17)(H,16,19)
InChIKeyCDKHVZNXAADXIE-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.20
Rot. Bonds4

About methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate

methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (PubChem CID 67356334) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
PubChem CID67356334
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Namemethyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCCOc1nc(N)c(NC(=O)OC(C)(C)C)cc1C(=O)OC
InChIInChI=1S/C14H21N3O5/c1-6-21-11-8(12(18)20-5)7-9(10(15)17-11)16-13(19)22-14(2,3)4/h7H,6H2,1-5H3,(H2,15,17)(H,16,19)
InChIKeyCDKHVZNXAADXIE-UHFFFAOYSA-N
XLogP2.20
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 166872941
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
methyl 2-bromo-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 146273918
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
methyl 6-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142743369
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 54107351
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458
tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate
CID 67361421
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (CID 67356334) is methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is CCOc1nc(N)c(NC(=O)OC(C)(C)C)cc1C(=O)OC.
What is the InChIKey of methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The InChIKey is CDKHVZNXAADXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-6-21-11-8(12(18)20-5)7-9(10(15)17-11)16-13(19)22-14(2,3)4/h7H,6H2,1-5H3,(H2,15,17)(H,16,19).
What are the key properties of methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 67356334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).