3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

C11H18N4O3 — CID 114071132

IUPAC3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C11H18N4O3/c1-8(2)14(4-3-5-16)11-7-9(15(17)18)6-10(12)13-11/h6-8,16H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZWAFELMYJIMEKY-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.17
Rot. Bonds6

About 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (PubChem CID 114071132) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
PubChem CID114071132
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C11H18N4O3/c1-8(2)14(4-3-5-16)11-7-9(15(17)18)6-10(12)13-11/h6-8,16H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZWAFELMYJIMEKY-UHFFFAOYSA-N
XLogP1.17
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol
CID 114071256
6-N-methyl-6-N-(2-methylsulfonylethyl)-4-nitropyridine-2,6-diamine
CID 114071220
6-N-ethyl-6-N-(2-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071217
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 76935259
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-5-nitrobenzenecarboximidamide
CID 76935068
4-nitro-6-propan-2-ylpyridin-2-amine
CID 21495074
3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 62484040
3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 83266014
3-[(5-nitro-1H-pyrazol-4-yl)-propan-2-ylamino]propan-1-ol
CID 114988516
3-[3-hydroxypropyl(propan-2-yl)amino]-4-nitrobenzamide
CID 82995817
3-[(6-methoxy-3-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115323357
5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106163382

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (CID 114071132) is 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1cc([N+](=O)[O-])cc(N)n1.
What is the InChIKey of 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The InChIKey is ZWAFELMYJIMEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(2)14(4-3-5-16)11-7-9(15(17)18)6-10(12)13-11/h6-8,16H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 114071132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).