1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol

C16H20FN3O — CID 83111329

IUPAC1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(C)CCC(O)c2ccc(F)cn2)n1
InChIInChI=1S/C16H20FN3O/c1-12-4-3-5-14(19-12)11-20(2)9-8-16(21)15-7-6-13(17)10-18-15/h3-7,10,16,21H,8-9,11H2,1-2H3
InChIKeySSHZPKTVFYFQHS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.48
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol (PubChem CID 83111329) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
PubChem CID83111329
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(C)CCC(O)c2ccc(F)cn2)n1
InChIInChI=1S/C16H20FN3O/c1-12-4-3-5-14(19-12)11-20(2)9-8-16(21)15-7-6-13(17)10-18-15/h3-7,10,16,21H,8-9,11H2,1-2H3
InChIKeySSHZPKTVFYFQHS-UHFFFAOYSA-N
XLogP2.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol (CID 83111329) is 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol is Cc1cccc(CN(C)CCC(O)c2ccc(F)cn2)n1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The InChIKey is SSHZPKTVFYFQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12-4-3-5-14(19-12)11-20(2)9-8-16(21)15-7-6-13(17)10-18-15/h3-7,10,16,21H,8-9,11H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 83111329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).