6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine

C16H21N3O3 — CID 58638505

IUPAC6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine
SMILESCC1CCN(c2nc(C3=CCOCC3)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H21N3O3/c1-12-4-8-18(9-5-12)16-15(19(20)21)3-2-14(17-16)13-6-10-22-11-7-13/h2-3,6,12H,4-5,7-11H2,1H3
InChIKeyUSTSOTBNIJLGHX-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.03
Rot. Bonds3

About 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine

6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine (PubChem CID 58638505) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine
PubChem CID58638505
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine
SMILESCC1CCN(c2nc(C3=CCOCC3)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H21N3O3/c1-12-4-8-18(9-5-12)16-15(19(20)21)3-2-14(17-16)13-6-10-22-11-7-13/h2-3,6,12H,4-5,7-11H2,1H3
InChIKeyUSTSOTBNIJLGHX-UHFFFAOYSA-N
XLogP3.03
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-4-(4-methylpiperidin-1-yl)-5-nitropyrimidine
CID 58638538
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
1-(2-chloro-5-nitropyrimidin-4-yl)-4-methylazepane
CID 114043306
6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 106836186
6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 80763904
6-(2-methylmorpholin-4-yl)-5-nitropyridin-2-amine
CID 80764724
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
benzyl 4-[6-(4-methylpiperidin-1-yl)-5-nitro-2-pyridinyl]piperazine-1-carboxylate
CID 58638521
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine?
The IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine (CID 58638505) is 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine is CC1CCN(c2nc(C3=CCOCC3)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine?
The InChIKey is USTSOTBNIJLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-4-8-18(9-5-12)16-15(19(20)21)3-2-14(17-16)13-6-10-22-11-7-13/h2-3,6,12H,4-5,7-11H2,1H3.
What are the key properties of 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine?
6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine has a molecular weight of 303.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyran-4-yl)-2-(4-methylpiperidin-1-yl)-3-nitropyridine is sourced from PubChem (CID 58638505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).