N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine

C12H18N4O2 — CID 97164455

IUPACN-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
SMILESCN(C[C@@H]1CCCNC1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-15(9-10-4-2-6-13-8-10)12-11(16(17)18)5-3-7-14-12/h3,5,7,10,13H,2,4,6,8-9H2,1H3/t10-/m1/s1
InChIKeyXDTIRKQUHWMDLE-SNVBAGLBSA-N
MW250.30 g/mol
LogP1.43
Rot. Bonds4

About N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine

N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine (PubChem CID 97164455) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
PubChem CID97164455
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
SMILESCN(C[C@@H]1CCCNC1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-15(9-10-4-2-6-13-8-10)12-11(16(17)18)5-3-7-14-12/h3,5,7,10,13H,2,4,6,8-9H2,1H3/t10-/m1/s1
InChIKeyXDTIRKQUHWMDLE-SNVBAGLBSA-N
XLogP1.43
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.43
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

3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71642116
2-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-3-amine
CID 106643092
3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
CID 97177823
3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79719994
4-methoxy-N-methyl-2-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106642746
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
tert-butyl (3S)-3-[[methyl-(3-nitro-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 97167307
3-[methyl(piperidin-3-ylmethyl)amino]-2-nitrobenzonitrile
CID 106642785

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine (CID 97164455) is N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine is CN(C[C@@H]1CCCNC1)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is XDTIRKQUHWMDLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(9-10-4-2-6-13-8-10)12-11(16(17)18)5-3-7-14-12/h3,5,7,10,13H,2,4,6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.43, 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-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 97164455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).