(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone

C13H18FN3O — CID 114035004

IUPAC(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(F)cnc2N)CC1
InChIInChI=1S/C13H18FN3O/c1-13(2)3-5-17(6-4-13)12(18)10-7-9(14)8-16-11(10)15/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyXFISHRYAMRTXDN-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.07
Rot. Bonds1

About (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone

(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 114035004) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID114035004
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(F)cnc2N)CC1
InChIInChI=1S/C13H18FN3O/c1-13(2)3-5-17(6-4-13)12(18)10-7-9(14)8-16-11(10)15/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyXFISHRYAMRTXDN-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 114035004) is (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cc(F)cnc2N)CC1.
What is the InChIKey of (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is XFISHRYAMRTXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-13(2)3-5-17(6-4-13)12(18)10-7-9(14)8-16-11(10)15/h7-8H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114035004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).