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

C13H17FN2O — CID 83125838

IUPAC3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)CC1CC1
InChIInChI=1S/C13H17FN2O/c1-16(9-10-2-3-10)7-6-13(17)12-5-4-11(14)8-15-12/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyAASIBZVYZHNSQU-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.14
Rot. Bonds6

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

3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83125838) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83125838
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)CC1CC1
InChIInChI=1S/C13H17FN2O/c1-16(9-10-2-3-10)7-6-13(17)12-5-4-11(14)8-15-12/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyAASIBZVYZHNSQU-UHFFFAOYSA-N
XLogP2.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
CID 83126479
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-2-ylmethyl)amino]propan-1-one
CID 83126692
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 105417098
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 83126332
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126268

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83125838) is 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is CN(CCC(=O)c1ccc(F)cn1)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is AASIBZVYZHNSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(9-10-2-3-10)7-6-13(17)12-5-4-11(14)8-15-12/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 236.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83125838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).