1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine

C11H16N4O2 — CID 66279399

IUPAC1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine
SMILESCc1cnc(N2CCCC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O2/c1-8-5-10(15(16)17)11(13-6-8)14-4-2-3-9(12)7-14/h5-6,9H,2-4,7,12H2,1H3
InChIKeyOQHRBSVLUGZKBR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.23
Rot. Bonds2

About 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine

1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine (PubChem CID 66279399) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine
PubChem CID66279399
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine
SMILESCc1cnc(N2CCCC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O2/c1-8-5-10(15(16)17)11(13-6-8)14-4-2-3-9(12)7-14/h5-6,9H,2-4,7,12H2,1H3
InChIKeyOQHRBSVLUGZKBR-UHFFFAOYSA-N
XLogP1.23
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.23
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'}

Analyze 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
CID 61297983
4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 103577513
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-ol
CID 66281161
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine
CID 142614299
N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine
CID 115307507
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
CID 142614244
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369
4-(chloromethyl)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168507973
3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 66279191
1-(5-bromo-3-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62664875

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine?
The IUPAC name of 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine (CID 66279399) is 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine.
What is the SMILES notation for 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine?
The canonical SMILES for 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine is Cc1cnc(N2CCCC(N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine?
The InChIKey is OQHRBSVLUGZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-5-10(15(16)17)11(13-6-8)14-4-2-3-9(12)7-14/h5-6,9H,2-4,7,12H2,1H3.
What are the key properties of 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine?
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine has a molecular weight of 236.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine is sourced from PubChem (CID 66279399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).