3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol

C12H19Cl2N3O — CID 102760014

IUPAC3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCCNc1nc(NC(C)(C)CCO)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-4-15-10-8(13)7-9(14)11(16-10)17-12(2,3)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyDNIOSNWJVWYTCA-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.39
Rot. Bonds6

About 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol

3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 102760014) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID102760014
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCCNc1nc(NC(C)(C)CCO)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-4-15-10-8(13)7-9(14)11(16-10)17-12(2,3)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyDNIOSNWJVWYTCA-UHFFFAOYSA-N
XLogP3.39
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
CID 126782207
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 43388767
(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
2-[[(3,5-Dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol
CID 100760254
[1-[(5-Chloro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115899112
(2S)-1-[(5-chloro-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)propan-2-ol
CID 129610968
(1-{[(5-Chloro-6-methylpyridin-2-yl)amino]methyl}cyclobutyl)methanol
CID 132418689
[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol
CID 164630346
[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol
CID 164640371
3-{[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300447
3-{[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300473

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 102760014) is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol is CCNc1nc(NC(C)(C)CCO)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is DNIOSNWJVWYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O/c1-4-15-10-8(13)7-9(14)11(16-10)17-12(2,3)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17).
What are the key properties of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 292.21 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 102760014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).