3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine

C13H19N3O3 — CID 95785017

IUPAC3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
SMILESCC[C@@H](Nc1ncccc1[N+](=O)[O-])C1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-2-11(10-5-8-19-9-6-10)15-13-12(16(17)18)4-3-7-14-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyKOFZGCXKGWCKFG-LLVKDONJSA-N
MW265.31 g/mol
LogP2.61
Rot. Bonds5

About 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine

3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine (PubChem CID 95785017) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
PubChem CID95785017
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
SMILESCC[C@@H](Nc1ncccc1[N+](=O)[O-])C1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-2-11(10-5-8-19-9-6-10)15-13-12(16(17)18)4-3-7-14-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyKOFZGCXKGWCKFG-LLVKDONJSA-N
XLogP2.61
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.61
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

1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
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CID 62350491
N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
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N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-nitropyridin-2-amine
CID 9251966
N-methyl-3-nitropyridin-2-amine
CID 556349
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
3-[1-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
CID 51107792
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-nitropyridin-2-amine
CID 98871144
2-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679742

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine (CID 95785017) is 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine is CC[C@@H](Nc1ncccc1[N+](=O)[O-])C1CCOCC1.
What is the InChIKey of 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine?
The InChIKey is KOFZGCXKGWCKFG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-11(10-5-8-19-9-6-10)15-13-12(16(17)18)4-3-7-14-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine?
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 95785017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).