3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine

C11H16N4O2 — CID 83025553

IUPAC3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NN1CCCCC1
InChIInChI=1S/C11H16N4O2/c1-9-7-10(15(16)17)8-12-11(9)13-14-5-3-2-4-6-14/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyKRVPMLVTKSIFNA-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.11
Rot. Bonds3

About 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine

3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine (PubChem CID 83025553) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
PubChem CID83025553
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NN1CCCCC1
InChIInChI=1S/C11H16N4O2/c1-9-7-10(15(16)17)8-12-11(9)13-14-5-3-2-4-6-14/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyKRVPMLVTKSIFNA-UHFFFAOYSA-N
XLogP2.11
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
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

N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
N-(3-methyl-5-nitrophenyl)piperidin-1-amine
CID 112649381
3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
CID 55261968
3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine
CID 133443794
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376408
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
CID 115886021
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 105418908
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine?
The IUPAC name of 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine (CID 83025553) is 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine.
What is the SMILES notation for 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine?
The canonical SMILES for 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NN1CCCCC1.
What is the InChIKey of 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine?
The InChIKey is KRVPMLVTKSIFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9-7-10(15(16)17)8-12-11(9)13-14-5-3-2-4-6-14/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine?
3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine has a molecular weight of 236.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine is sourced from PubChem (CID 83025553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).