2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide

C13H16N4O4 — CID 133390539

IUPAC2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NCCC1=CCOCC1
InChIInChI=1S/C13H16N4O4/c14-12(18)11-7-10(17(19)20)8-16-13(11)15-4-1-9-2-5-21-6-3-9/h2,7-8H,1,3-6H2,(H2,14,18)(H,15,16)
InChIKeyHUGVRJYBSLXTNR-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.24
Rot. Bonds6

About 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide

2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide (PubChem CID 133390539) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide
PubChem CID133390539
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NCCC1=CCOCC1
InChIInChI=1S/C13H16N4O4/c14-12(18)11-7-10(17(19)20)8-16-13(11)15-4-1-9-2-5-21-6-3-9/h2,7-8H,1,3-6H2,(H2,14,18)(H,15,16)
InChIKeyHUGVRJYBSLXTNR-UHFFFAOYSA-N
XLogP1.24
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-3-nitrobenzenesulfonamide
CID 133390333
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204
5-nitro-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486819
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide (CID 133390539) is 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1NCCC1=CCOCC1.
What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide?
The InChIKey is HUGVRJYBSLXTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c14-12(18)11-7-10(17(19)20)8-16-13(11)15-4-1-9-2-5-21-6-3-9/h2,7-8H,1,3-6H2,(H2,14,18)(H,15,16).
What are the key properties of 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide?
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133390539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).