5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol

C14H23Cl2N3O — CID 106163265

IUPAC5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
SMILESCCCNc1nc(NCCCC(C)CO)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3O/c1-3-6-17-13-11(15)8-12(16)14(19-13)18-7-4-5-10(2)9-20/h8,10,20H,3-7,9H2,1-2H3,(H2,17,18,19)
InChIKeyMOXPXOFPZFRNNB-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.03
Rot. Bonds9

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

5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol (PubChem CID 106163265) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
PubChem CID106163265
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
SMILESCCCNc1nc(NCCCC(C)CO)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3O/c1-3-6-17-13-11(15)8-12(16)14(19-13)18-7-4-5-10(2)9-20/h8,10,20H,3-7,9H2,1-2H3,(H2,17,18,19)
InChIKeyMOXPXOFPZFRNNB-UHFFFAOYSA-N
XLogP4.03
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102759896
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]methyl]pentan-1-ol
CID 102759121
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102761595
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol
CID 102761554
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
CID 102758878
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol (CID 106163265) is 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol is CCCNc1nc(NCCCC(C)CO)c(Cl)cc1Cl.
What is the InChIKey of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol?
The InChIKey is MOXPXOFPZFRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3O/c1-3-6-17-13-11(15)8-12(16)14(19-13)18-7-4-5-10(2)9-20/h8,10,20H,3-7,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol?
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol has a molecular weight of 320.26 g/mol, XLogP of 4.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106163265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).