1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol

C14H21Cl2N3O — CID 102758689

IUPAC1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCNc1nc(NCC2(O)CCCC(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-9-4-3-5-14(20,7-9)8-18-13-11(16)6-10(15)12(17-2)19-13/h6,9,20H,3-5,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyHAOFLYFKISLDTF-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.78
Rot. Bonds4

About 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol

1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 102758689) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID102758689
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCNc1nc(NCC2(O)CCCC(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-9-4-3-5-14(20,7-9)8-18-13-11(16)6-10(15)12(17-2)19-13/h6,9,20H,3-5,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyHAOFLYFKISLDTF-UHFFFAOYSA-N
XLogP3.78
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol (CID 102758689) is 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol is CNc1nc(NCC2(O)CCCC(C)C2)c(Cl)cc1Cl.
What is the InChIKey of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is HAOFLYFKISLDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-9-4-3-5-14(20,7-9)8-18-13-11(16)6-10(15)12(17-2)19-13/h6,9,20H,3-5,7-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 318.25 g/mol, XLogP of 3.78, 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]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 102758689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).