2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide

C22H27FN2O2 — CID 110619177

IUPAC2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
SMILESCN(CCC1CCCCO1)C(=O)C(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-25(13-11-20-6-2-3-14-27-20)22(26)21(15-17-5-4-12-24-16-17)18-7-9-19(23)10-8-18/h4-5,7-10,12,16,20-21H,2-3,6,11,13-15H2,1H3
InChIKeyLKDVYNOJHJEKBF-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide

2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide (PubChem CID 110619177) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
PubChem CID110619177
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
SMILESCN(CCC1CCCCO1)C(=O)C(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-25(13-11-20-6-2-3-14-27-20)22(26)21(15-17-5-4-12-24-16-17)18-7-9-19(23)10-8-18/h4-5,7-10,12,16,20-21H,2-3,6,11,13-15H2,1H3
InChIKeyLKDVYNOJHJEKBF-UHFFFAOYSA-N
XLogP3.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 110310019
N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296433
2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide
CID 82020986
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
2-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110296524
2-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-pyridin-3-ylpropanamide
CID 110306923
1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
CID 62604735

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide (CID 110619177) is 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide is CN(CCC1CCCCO1)C(=O)C(Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide?
The InChIKey is LKDVYNOJHJEKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-25(13-11-20-6-2-3-14-27-20)22(26)21(15-17-5-4-12-24-16-17)18-7-9-19(23)10-8-18/h4-5,7-10,12,16,20-21H,2-3,6,11,13-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide?
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110619177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).