N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride

C12H19ClN4O2 — CID 71642416

IUPACN-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1ncccc1[N+](=O)[O-].Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-15(9-10-4-7-13-8-5-10)12-11(16(17)18)3-2-6-14-12;/h2-3,6,10,13H,4-5,7-9H2,1H3;1H
InChIKeyFURRWYPSPABOMB-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride

N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride (PubChem CID 71642416) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
PubChem CID71642416
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC NameN-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1ncccc1[N+](=O)[O-].Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-15(9-10-4-7-13-8-5-10)12-11(16(17)18)3-2-6-14-12;/h2-3,6,10,13H,4-5,7-9H2,1H3;1H
InChIKeyFURRWYPSPABOMB-UHFFFAOYSA-N
XLogP1.85
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.85
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 N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride 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

N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79719994
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719150
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
4-N-methyl-4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 79115640
3-iodo-N-methyl-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 106493510
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 71008351
tert-butyl (3S)-3-[[methyl-(3-nitro-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 97167307
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79719980

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride (CID 71642416) is N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride is CN(CC1CCNCC1)c1ncccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
The InChIKey is FURRWYPSPABOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-15(9-10-4-7-13-8-5-10)12-11(16(17)18)3-2-6-14-12;/h2-3,6,10,13H,4-5,7-9H2,1H3;1H.
What are the key properties of N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71642416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).