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

C14H21FN2O — CID 83126762

IUPAC1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
SMILESCC(C)C(C)N(C)CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-10(2)11(3)17(4)8-7-14(18)13-6-5-12(15)9-16-13/h5-6,9-11H,7-8H2,1-4H3
InChIKeyYHDDQEGUFQVRQK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.77
Rot. Bonds6

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

1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one (PubChem CID 83126762) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
PubChem CID83126762
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
SMILESCC(C)C(C)N(C)CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-10(2)11(3)17(4)8-7-14(18)13-6-5-12(15)9-16-13/h5-6,9-11H,7-8H2,1-4H3
InChIKeyYHDDQEGUFQVRQK-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.77
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-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
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
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
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-2-ylmethyl)amino]propan-1-one
CID 83126692
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
CID 83128740

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one (CID 83126762) is 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one is CC(C)C(C)N(C)CCC(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
The InChIKey is YHDDQEGUFQVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)11(3)17(4)8-7-14(18)13-6-5-12(15)9-16-13/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one has a molecular weight of 252.33 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 1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one is sourced from PubChem (CID 83126762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).