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

C12H20N4O3 — CID 80841652

IUPAC2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
SMILESCCCNc1ccc([N+](=O)[O-])c(NCC(C)(C)O)n1
InChIInChI=1S/C12H20N4O3/c1-4-7-13-10-6-5-9(16(18)19)11(15-10)14-8-12(2,3)17/h5-6,17H,4,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyPPFQFIVLNJTONV-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.99
Rot. Bonds7

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

2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol (PubChem CID 80841652) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
PubChem CID80841652
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
SMILESCCCNc1ccc([N+](=O)[O-])c(NCC(C)(C)O)n1
InChIInChI=1S/C12H20N4O3/c1-4-7-13-10-6-5-9(16(18)19)11(15-10)14-8-12(2,3)17/h5-6,17H,4,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyPPFQFIVLNJTONV-UHFFFAOYSA-N
XLogP1.99
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.99
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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Related Compounds

2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
CID 107159646
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 83179472
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol (CID 80841652) is 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol is CCCNc1ccc([N+](=O)[O-])c(NCC(C)(C)O)n1.
What is the InChIKey of 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is PPFQFIVLNJTONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-7-13-10-6-5-9(16(18)19)11(15-10)14-8-12(2,3)17/h5-6,17H,4,7-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol?
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 80841652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).