[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol

C13H19Cl2N3O — CID 102757923

IUPAC[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
SMILESCNc1nc(NC2(CO)CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-16-11-9(14)7-10(15)12(17-11)18-13(8-19)5-3-2-4-6-13/h7,19H,2-6,8H2,1H3,(H2,16,17,18)
InChIKeyWXKYUSQEPMTHPR-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.54
Rot. Bonds4

About [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol

[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 102757923) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
PubChem CID102757923
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
SMILESCNc1nc(NC2(CO)CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-16-11-9(14)7-10(15)12(17-11)18-13(8-19)5-3-2-4-6-13/h7,19H,2-6,8H2,1H3,(H2,16,17,18)
InChIKeyWXKYUSQEPMTHPR-UHFFFAOYSA-N
XLogP3.54
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-phenylpropan-1-ol
CID 60248892
[1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
CID 62521519
[1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol
CID 62526529
[1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol
CID 62526882
2-[(5-Chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 79727233
2-[[(5-Chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79727339
[2-[[(5-Chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 79727443
1-[[(5-Chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79727848
[1-[(5-Chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol
CID 79728243
2-[(5-Chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 79728244
[1-[(5-Chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 79728347
[1-[(5-Chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
CID 79728348

Frequently Asked Questions

What is the IUPAC name of [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol (CID 102757923) is [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol is CNc1nc(NC2(CO)CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is WXKYUSQEPMTHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-16-11-9(14)7-10(15)12(17-11)18-13(8-19)5-3-2-4-6-13/h7,19H,2-6,8H2,1H3,(H2,16,17,18).
What are the key properties of [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol?
[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 304.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 102757923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).