methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate

C20H26N4O10 — CID 159122898

IUPACmethyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate
SMILESCOCCOc1cc(C(=O)OC)c(N)cn1.COCCOc1cc(C(=O)OC)c([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N2O6.C10H14N2O4/c1-16-3-4-18-9-5-7(10(13)17-2)8(6-11-9)12(14)15;1-14-3-4-16-9-5-7(10(13)15-2)8(11)6-12-9/h5-6H,3-4H2,1-2H3;5-6H,3-4,11H2,1-2H3
InChIKeyKFXOOLZKPOQDDV-UHFFFAOYSA-N
MW482.45 g/mol
LogP1.28
Rot. Bonds11

About methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate

methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate (PubChem CID 159122898) has the molecular formula C20H26N4O10 and a molecular weight of 482.45 g/mol. Its IUPAC name is methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate
PubChem CID159122898
Molecular FormulaC20H26N4O10
Molecular Weight482.45 g/mol
Exact Mass482.16
IUPAC Namemethyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate
SMILESCOCCOc1cc(C(=O)OC)c(N)cn1.COCCOc1cc(C(=O)OC)c([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N2O6.C10H14N2O4/c1-16-3-4-18-9-5-7(10(13)17-2)8(6-11-9)12(14)15;1-14-3-4-16-9-5-7(10(13)15-2)8(11)6-12-9/h5-6H,3-4H2,1-2H3;5-6H,3-4,11H2,1-2H3
InChIKeyKFXOOLZKPOQDDV-UHFFFAOYSA-N
XLogP1.28
TPSA184.46 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropoxy)-5-nitropyridine-4-carboxylic acid
CID 114089673
methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate
CID 106203427
5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
CID 114195860
ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate
CID 11186961
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
methane;methyl 2-amino-4,5-difluorobenzoate;methyl 4,5-difluoro-2-nitrobenzoate
CID 157070624
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
methyl 4-amino-2-ethoxy-5-nitrobenzoate
CID 15096751
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid
CID 23107612
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
CID 143984971

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate (CID 159122898) is methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate is COCCOc1cc(C(=O)OC)c(N)cn1.COCCOc1cc(C(=O)OC)c([N+](=O)[O-])cn1.
What is the InChIKey of methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate?
The InChIKey is KFXOOLZKPOQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6.C10H14N2O4/c1-16-3-4-18-9-5-7(10(13)17-2)8(6-11-9)12(14)15;1-14-3-4-16-9-5-7(10(13)15-2)8(11)6-12-9/h5-6H,3-4H2,1-2H3;5-6H,3-4,11H2,1-2H3.
What are the key properties of methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate?
methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate has a molecular weight of 482.45 g/mol, XLogP of 1.28, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate is sourced from PubChem (CID 159122898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).