N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine

C12H18N4O2 — CID 71642116

IUPACN-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCNC1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H18N4O2/c1-15(9-10-3-2-6-13-7-10)12-5-4-11(8-14-12)16(17)18/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyMFZZMMHMCJWYMW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.43
Rot. Bonds4

About N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine

N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine (PubChem CID 71642116) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
PubChem CID71642116
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCNC1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H18N4O2/c1-15(9-10-3-2-6-13-7-10)12-5-4-11(8-14-12)16(17)18/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyMFZZMMHMCJWYMW-UHFFFAOYSA-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

6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide
CID 106642822
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
N-methyl-5-nitro-N-[[(3R)-piperidin-3-yl]methyl]-1,3-benzothiazol-2-amine
CID 97164475
N-methyl-6-nitro-N-[[(3S)-piperidin-3-yl]methyl]-1H-benzimidazol-2-amine
CID 97164472
2-(difluoromethyl)-N-methyl-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106642895
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 133271782
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
3-fluoro-N-methyl-5-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106642828
N-methyl-4-nitro-N-(piperidin-3-ylmethyl)-1,3-benzothiazol-5-amine
CID 106642823
3-[methyl(piperidin-3-ylmethyl)amino]-2-nitrobenzonitrile
CID 106642785
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine (CID 71642116) is N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine is CN(CC1CCCNC1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is MFZZMMHMCJWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(9-10-3-2-6-13-7-10)12-5-4-11(8-14-12)16(17)18/h4-5,8,10,13H,2-3,6-7,9H2,1H3.
What are the key properties of N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
N-methyl-5-nitro-N-(piperidin-3-ylmethyl)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-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71642116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).