2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol

C10H15N3O4 — CID 107866093

IUPAC2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H15N3O4/c1-2-10(6-14,7-15)12-8-3-4-9(11-5-8)13(16)17/h3-5,12,14-15H,2,6-7H2,1H3
InChIKeyZCTLMCZKUUNKBV-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.54
Rot. Bonds6

About 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol

2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol (PubChem CID 107866093) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol
PubChem CID107866093
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H15N3O4/c1-2-10(6-14,7-15)12-8-3-4-9(11-5-8)13(16)17/h3-5,12,14-15H,2,6-7H2,1H3
InChIKeyZCTLMCZKUUNKBV-UHFFFAOYSA-N
XLogP0.54
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.54
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

3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol
CID 106171127
2-methyl-2-[(6-nitro-3-pyridinyl)amino]butanoic acid
CID 79792047
2-ethyl-2-(3-methoxy-5-nitroanilino)propane-1,3-diol
CID 107866172
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-nitrobenzonitrile
CID 107865834
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
2-ethyl-2-[(4-nitro-2-pyridinyl)amino]propane-1,3-diol
CID 107866257
2-ethyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]propane-1,3-diol
CID 107866269
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
2-ethyl-2-(3-nitro-5-propoxyanilino)butan-1-ol
CID 80731789
1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
CID 63730786
2-[(6-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 62542575
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol (CID 107866093) is 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol is CCC(CO)(CO)Nc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol?
The InChIKey is ZCTLMCZKUUNKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-10(6-14,7-15)12-8-3-4-9(11-5-8)13(16)17/h3-5,12,14-15H,2,6-7H2,1H3.
What are the key properties of 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol?
2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol has a molecular weight of 241.25 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol is sourced from PubChem (CID 107866093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).