1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one

C14H19FN2O — CID 83126479

IUPAC1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
SMILESCC1CC1CN(C)CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O/c1-10-7-11(10)9-17(2)6-5-14(18)13-4-3-12(15)8-16-13/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyYKWLKLAUTBBHDR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.38
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one

1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one (PubChem CID 83126479) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
PubChem CID83126479
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
SMILESCC1CC1CN(C)CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O/c1-10-7-11(10)9-17(2)6-5-14(18)13-4-3-12(15)8-16-13/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyYKWLKLAUTBBHDR-UHFFFAOYSA-N
XLogP2.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one (CID 83126479) is 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one is CC1CC1CN(C)CCC(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one?
The InChIKey is YKWLKLAUTBBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-7-11(10)9-17(2)6-5-14(18)13-4-3-12(15)8-16-13/h3-4,8,10-11H,5-7,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one?
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one has a molecular weight of 250.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one is sourced from PubChem (CID 83126479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).