6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine

C12H18N4O2 — CID 99718979

IUPAC6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
SMILESC[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C12H18N4O2/c1-8-5-9(2)7-15(6-8)11-4-3-10(16(17)18)12(13)14-11/h3-4,8-9H,5-7H2,1-2H3,(H2,13,14)/t8-,9-/m0/s1
InChIKeyAIRBASRMKCIKSZ-IUCAKERBSA-N
MW250.30 g/mol
LogP2.05
Rot. Bonds2

About 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine

6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine (PubChem CID 99718979) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
PubChem CID99718979
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
SMILESC[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C12H18N4O2/c1-8-5-9(2)7-15(6-8)11-4-3-10(16(17)18)12(13)14-11/h3-4,8-9H,5-7H2,1-2H3,(H2,13,14)/t8-,9-/m0/s1
InChIKeyAIRBASRMKCIKSZ-IUCAKERBSA-N
XLogP2.05
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.05
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-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
CID 114238626
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
6-[4-(2-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816389
6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79827817
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79816393

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine?
The IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine (CID 99718979) is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine is C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(N)n2)C1.
What is the InChIKey of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine?
The InChIKey is AIRBASRMKCIKSZ-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-5-9(2)7-15(6-8)11-4-3-10(16(17)18)12(13)14-11/h3-4,8-9H,5-7H2,1-2H3,(H2,13,14)/t8-,9-/m0/s1.
What are the key properties of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine?
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 99718979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).