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

C15H21FN2O — CID 112586193

IUPAC3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCCCN(CC(C)C(=O)c1ccc(F)cn1)C1CC1
InChIInChI=1S/C15H21FN2O/c1-3-8-18(13-5-6-13)10-11(2)15(19)14-7-4-12(16)9-17-14/h4,7,9,11,13H,3,5-6,8,10H2,1-2H3
InChIKeyBAZZEFAXTIBRMU-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.91
Rot. Bonds7

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

3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 112586193) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
PubChem CID112586193
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCCCN(CC(C)C(=O)c1ccc(F)cn1)C1CC1
InChIInChI=1S/C15H21FN2O/c1-3-8-18(13-5-6-13)10-11(2)15(19)14-7-4-12(16)9-17-14/h4,7,9,11,13H,3,5-6,8,10H2,1-2H3
InChIKeyBAZZEFAXTIBRMU-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586221
3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 115941018
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-[ethyl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586213
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 107486381
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
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
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (CID 112586193) is 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is CCCN(CC(C)C(=O)c1ccc(F)cn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is BAZZEFAXTIBRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-8-18(13-5-6-13)10-11(2)15(19)14-7-4-12(16)9-17-14/h4,7,9,11,13H,3,5-6,8,10H2,1-2H3.
What are the key properties of 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 112586193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).