3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

C15H21FN2O — CID 112586223

IUPAC3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(CN(C)CC1CCC1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O/c1-11(9-18(2)10-12-4-3-5-12)15(19)14-7-6-13(16)8-17-14/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyZOHFQLAOLJYXAW-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.77
Rot. Bonds6

About 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 112586223) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
PubChem CID112586223
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(CN(C)CC1CCC1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O/c1-11(9-18(2)10-12-4-3-5-12)15(19)14-7-6-13(16)8-17-14/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyZOHFQLAOLJYXAW-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
CID 115941085
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
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-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
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
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-2-ylmethyl)amino]propan-1-one
CID 83126692

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (CID 112586223) is 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is CC(CN(C)CC1CCC1)C(=O)c1ccc(F)cn1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is ZOHFQLAOLJYXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(9-18(2)10-12-4-3-5-12)15(19)14-7-6-13(16)8-17-14/h6-8,11-12H,3-5,9-10H2,1-2H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 112586223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).