2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide

C14H14N4O5 — CID 133347183

IUPAC2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C14H14N4O5/c15-13(19)10-6-9(18(20)21)7-16-14(10)17-3-5-23-12(8-17)11-2-1-4-22-11/h1-2,4,6-7,12H,3,5,8H2,(H2,15,19)
InChIKeyCBNSRNIOXIRHBQ-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide

2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide (PubChem CID 133347183) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide
PubChem CID133347183
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Name2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C14H14N4O5/c15-13(19)10-6-9(18(20)21)7-16-14(10)17-3-5-23-12(8-17)11-2-1-4-22-11/h1-2,4,6-7,12H,3,5,8H2,(H2,15,19)
InChIKeyCBNSRNIOXIRHBQ-UHFFFAOYSA-N
XLogP1.26
TPSA124.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
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

2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026
ethyl 3-fluoro-2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzoate
CID 133347272
2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide
CID 133274548
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
CID 133347045
6-[2-(furan-2-yl)morpholin-4-yl]pyridazine-3-carboxamide
CID 133347306
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133279381
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280156
2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133414362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide (CID 133347183) is 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1N1CCOC(c2ccco2)C1.
What is the InChIKey of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is CBNSRNIOXIRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5/c15-13(19)10-6-9(18(20)21)7-16-14(10)17-3-5-23-12(8-17)11-2-1-4-22-11/h1-2,4,6-7,12H,3,5,8H2,(H2,15,19).
What are the key properties of 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide?
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133347183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).