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

C15H21FN2O — CID 83125834

IUPAC3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)C1CCCCC1
InChIInChI=1S/C15H21FN2O/c1-18(13-5-3-2-4-6-13)10-9-15(19)14-8-7-12(16)11-17-14/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyZMKUMQVFOHDKMK-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.06
Rot. Bonds5

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

3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83125834) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83125834
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)C1CCCCC1
InChIInChI=1S/C15H21FN2O/c1-18(13-5-3-2-4-6-13)10-9-15(19)14-8-7-12(16)11-17-14/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyZMKUMQVFOHDKMK-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-2-ylmethyl)amino]propan-1-one
CID 83126692
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
CID 83126479
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 105417098
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126268
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 83126332

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83125834) is 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is CN(CCC(=O)c1ccc(F)cn1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is ZMKUMQVFOHDKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-18(13-5-3-2-4-6-13)10-9-15(19)14-8-7-12(16)11-17-14/h7-8,11,13H,2-6,9-10H2,1H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 264.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83125834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).