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

C12H15FN2O — CID 83126542

IUPAC3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)C1CC1
InChIInChI=1S/C12H15FN2O/c1-15(10-3-4-10)7-6-12(16)11-5-2-9(13)8-14-11/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyWOXDJBIEJHWQQN-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.89
Rot. Bonds5

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

3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83126542) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83126542
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)C1CC1
InChIInChI=1S/C12H15FN2O/c1-15(10-3-4-10)7-6-12(16)11-5-2-9(13)8-14-11/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyWOXDJBIEJHWQQN-UHFFFAOYSA-N
XLogP1.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83126542) is 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is CN(CCC(=O)c1ccc(F)cn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is WOXDJBIEJHWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15(10-3-4-10)7-6-12(16)11-5-2-9(13)8-14-11/h2,5,8,10H,3-4,6-7H2,1H3.
What are the key properties of 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 222.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83126542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).