3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

C14H19FN2O2 — CID 112586221

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(CN(CCO)C1CC1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c1-10(9-17(6-7-18)12-3-4-12)14(19)13-5-2-11(15)8-16-13/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3
InChIKeyHAHOHVNMVRVOEB-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.50
Rot. Bonds7

About 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 112586221) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
PubChem CID112586221
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(CN(CCO)C1CC1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c1-10(9-17(6-7-18)12-3-4-12)14(19)13-5-2-11(15)8-16-13/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3
InChIKeyHAHOHVNMVRVOEB-UHFFFAOYSA-N
XLogP1.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586193
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 107486381
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
CID 115941085
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 115941018
3-[ethyl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586213
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126268
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (CID 112586221) is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is CC(CN(CCO)C1CC1)C(=O)c1ccc(F)cn1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is HAHOHVNMVRVOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(9-17(6-7-18)12-3-4-12)14(19)13-5-2-11(15)8-16-13/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3.
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 112586221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).