1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one

C15H21FN2O2 — CID 115941085

IUPAC1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
SMILESCC(CN(C)CC1CC(O)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O2/c1-10(8-18(2)9-11-5-13(19)6-11)15(20)14-4-3-12(16)7-17-14/h3-4,7,10-11,13,19H,5-6,8-9H2,1-2H3
InChIKeyIEWCDPXOCDEGBZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.74
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one

1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one (PubChem CID 115941085) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
PubChem CID115941085
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
SMILESCC(CN(C)CC1CC(O)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O2/c1-10(8-18(2)9-11-5-13(19)6-11)15(20)14-4-3-12(16)7-17-14/h3-4,7,10-11,13,19H,5-6,8-9H2,1-2H3
InChIKeyIEWCDPXOCDEGBZ-UHFFFAOYSA-N
XLogP1.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586221
3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586193
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 115941018
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 107486381
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
3-[ethyl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586213
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
CID 83126479
1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114681875

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one (CID 115941085) is 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one is CC(CN(C)CC1CC(O)C1)C(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one?
The InChIKey is IEWCDPXOCDEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(8-18(2)9-11-5-13(19)6-11)15(20)14-4-3-12(16)7-17-14/h3-4,7,10-11,13,19H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one?
1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.74, 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-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one is sourced from PubChem (CID 115941085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).