2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

C12H20N2O3 — CID 114010653

IUPAC2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCOc1cccnc1NC(CC)(CO)CO
InChIInChI=1S/C12H20N2O3/c1-3-12(8-15,9-16)14-11-10(17-4-2)6-5-7-13-11/h5-7,15-16H,3-4,8-9H2,1-2H3,(H,13,14)
InChIKeyCSKKCMDENOHDMT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.03
Rot. Bonds7

About 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 114010653) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
PubChem CID114010653
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCOc1cccnc1NC(CC)(CO)CO
InChIInChI=1S/C12H20N2O3/c1-3-12(8-15,9-16)14-11-10(17-4-2)6-5-7-13-11/h5-7,15-16H,3-4,8-9H2,1-2H3,(H,13,14)
InChIKeyCSKKCMDENOHDMT-UHFFFAOYSA-N
XLogP1.03
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866027
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
CID 62519572
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine
CID 106252954
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 107866247
3-[(3-ethoxy-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170981

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (CID 114010653) is 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is CCOc1cccnc1NC(CC)(CO)CO.
What is the InChIKey of 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is CSKKCMDENOHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-12(8-15,9-16)14-11-10(17-4-2)6-5-7-13-11/h5-7,15-16H,3-4,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 240.30 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 114010653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).