3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride

C10H15ClN4O2 — CID 71635602

IUPAC3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1N[C@H]1CCCNC1
InChIInChI=1S/C10H14N4O2.ClH/c15-14(16)9-4-2-6-12-10(9)13-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2,(H,12,13);1H/t8-;/m0./s1
InChIKeyBCEDSJHWQLWCJK-QRPNPIFTSA-N
MW258.71 g/mol
LogP1.58
Rot. Bonds3

About 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride

3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride (PubChem CID 71635602) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
PubChem CID71635602
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1N[C@H]1CCCNC1
InChIInChI=1S/C10H14N4O2.ClH/c15-14(16)9-4-2-6-12-10(9)13-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2,(H,12,13);1H/t8-;/m0./s1
InChIKeyBCEDSJHWQLWCJK-QRPNPIFTSA-N
XLogP1.58
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.58
H-Bond Donors ≤ 52
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-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(2-nitro-3-pyridinyl)azepan-3-amine
CID 113424918
3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 71008351
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
CID 43599429
3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
CID 71635674
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
CID 126821677
cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 47053881

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride (CID 71635602) is 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride is Cl.O=[N+]([O-])c1cccnc1N[C@H]1CCCNC1.
What is the InChIKey of 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride?
The InChIKey is BCEDSJHWQLWCJK-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H14N4O2.ClH/c15-14(16)9-4-2-6-12-10(9)13-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2,(H,12,13);1H/t8-;/m0./s1.
What are the key properties of 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride?
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71635602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).