2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide

C12H16N4O5 — CID 102634953

IUPAC2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
SMILESCC1CNCC(COc2ncc([N+](=O)[O-])cc2C(N)=O)O1
InChIInChI=1S/C12H16N4O5/c1-7-3-14-5-9(21-7)6-20-12-10(11(13)17)2-8(4-15-12)16(18)19/h2,4,7,9,14H,3,5-6H2,1H3,(H2,13,17)
InChIKeyHFPYNABLZMIWMZ-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide

2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide (PubChem CID 102634953) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
PubChem CID102634953
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
SMILESCC1CNCC(COc2ncc([N+](=O)[O-])cc2C(N)=O)O1
InChIInChI=1S/C12H16N4O5/c1-7-3-14-5-9(21-7)6-20-12-10(11(13)17)2-8(4-15-12)16(18)19/h2,4,7,9,14H,3,5-6H2,1H3,(H2,13,17)
InChIKeyHFPYNABLZMIWMZ-UHFFFAOYSA-N
XLogP-0.16
TPSA129.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide
CID 102635015
5-nitro-2-(2-piperidin-3-ylethoxy)pyridine-3-carboxamide
CID 62358030
2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide
CID 55104538
2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine
CID 102634814
2-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]-6-methylmorpholine
CID 102635311
2-methyl-6-[(6-methylmorpholin-2-yl)methoxy]pyridine-4-carboxamide
CID 102635403
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
CID 102634870
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine
CID 102634942
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
2-[(3-bromo-5-chloro-2-pyridinyl)oxymethyl]-6-methylmorpholine
CID 102635416
2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide
CID 106825881
methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate
CID 102635178

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide (CID 102634953) is 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide is CC1CNCC(COc2ncc([N+](=O)[O-])cc2C(N)=O)O1.
What is the InChIKey of 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide?
The InChIKey is HFPYNABLZMIWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-7-3-14-5-9(21-7)6-20-12-10(11(13)17)2-8(4-15-12)16(18)19/h2,4,7,9,14H,3,5-6H2,1H3,(H2,13,17).
What are the key properties of 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide?
2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 102634953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).