3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol

C12H19Cl2N3O2 — CID 102758878

IUPAC3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
SMILESCCCNc1nc(NCC(C)(O)CO)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O2/c1-3-4-15-10-8(13)5-9(14)11(17-10)16-6-12(2,19)7-18/h5,18-19H,3-4,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyRRFQBJUIBBFWRG-UHFFFAOYSA-N
MW308.21 g/mol
LogP2.37
Rot. Bonds7

About 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol (PubChem CID 102758878) has the molecular formula C12H19Cl2N3O2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
PubChem CID102758878
Molecular FormulaC12H19Cl2N3O2
Molecular Weight308.21 g/mol
Exact Mass307.09
IUPAC Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
SMILESCCCNc1nc(NCC(C)(O)CO)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O2/c1-3-4-15-10-8(13)5-9(14)11(17-10)16-6-12(2,19)7-18/h5,18-19H,3-4,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyRRFQBJUIBBFWRG-UHFFFAOYSA-N
XLogP2.37
TPSA77.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol with MolForge

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Related Compounds

(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
CID 126782207
3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)propane-1,2-diol
CID 66175652
(2S)-2-[(3,5-Dichloropyridin-2-YL)amino]propan-1-OL
CID 93083623
(3S)-3-[(3,5-dichloro-2-pyridinyl)amino]butan-1-ol
CID 99634488
(2S)-1-[(5-chloro-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)propan-2-ol
CID 129610968
3-[(6-Fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66169557
3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
CID 66170974
4-[(5-Chloro-3-fluoro-2-pyridinyl)amino]butan-2-ol
CID 79727440
3-[(5-Chloro-3-fluoro-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 79727539
1-[(5-Chloro-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79727639
3-[[(5-Chloro-3-fluoro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 79727741
3-[(5-Chloro-3-fluoro-2-pyridinyl)amino]propane-1,2-diol
CID 79727849

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol (CID 102758878) is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol is CCCNc1nc(NCC(C)(O)CO)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol?
The InChIKey is RRFQBJUIBBFWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O2/c1-3-4-15-10-8(13)5-9(14)11(17-10)16-6-12(2,19)7-18/h5,18-19H,3-4,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol?
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol has a molecular weight of 308.21 g/mol, XLogP of 2.37, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 102758878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).