4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol

C14H24N4O3 — CID 107159646

IUPAC4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
SMILESCCCNc1ccc([N+](=O)[O-])c(NCC(O)CC(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-4-7-15-13-6-5-12(18(20)21)14(17-13)16-9-11(19)8-10(2)3/h5-6,10-11,19H,4,7-9H2,1-3H3,(H2,15,16,17)
InChIKeyWCACAYSWFMSCDC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds9

About 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol

4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol (PubChem CID 107159646) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
PubChem CID107159646
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
SMILESCCCNc1ccc([N+](=O)[O-])c(NCC(O)CC(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-4-7-15-13-6-5-12(18(20)21)14(17-13)16-9-11(19)8-10(2)3/h5-6,10-11,19H,4,7-9H2,1-3H3,(H2,15,16,17)
InChIKeyWCACAYSWFMSCDC-UHFFFAOYSA-N
XLogP2.63
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol (CID 107159646) is 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol is CCCNc1ccc([N+](=O)[O-])c(NCC(O)CC(C)C)n1.
What is the InChIKey of 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is WCACAYSWFMSCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-7-15-13-6-5-12(18(20)21)14(17-13)16-9-11(19)8-10(2)3/h5-6,10-11,19H,4,7-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol?
4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol has a molecular weight of 296.37 g/mol, XLogP of 2.63, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 107159646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).