5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C20H22F3N3O2 — CID 122539725

IUPAC5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCCN2CCC(F)(F)CC2)cn1
InChIInChI=1S/C20H22F3N3O2/c21-15-4-2-14(3-5-15)16-12-17(19(24)27)25-13-18(16)28-11-1-8-26-9-6-20(22,23)7-10-26/h2-5,12-13H,1,6-11H2,(H2,24,27)
InChIKeyOIQMHULKBQXJQK-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.49
Rot. Bonds7

About 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539725) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539725
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCCN2CCC(F)(F)CC2)cn1
InChIInChI=1S/C20H22F3N3O2/c21-15-4-2-14(3-5-15)16-12-17(19(24)27)25-13-18(16)28-11-1-8-26-9-6-20(22,23)7-10-26/h2-5,12-13H,1,6-11H2,(H2,24,27)
InChIKeyOIQMHULKBQXJQK-UHFFFAOYSA-N
XLogP3.49
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Suvecaltamide
CID 24765479
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
5-((1S)-2-((2R)-4-benzoyl-2-methyl-piperazin-1-yl)-1-methyl-2-oxo-ethoxy)-4-methoxy-pyridine-2-carboxylic acid methylamide
CID 11655099
2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173
5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
[3-(2-Tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
CID 59577179
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
CID 162646656
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)picolinamide
CID 54587759
5-(Trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 1478724

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539725) is 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCCCN2CCC(F)(F)CC2)cn1.
What is the InChIKey of 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is OIQMHULKBQXJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c21-15-4-2-14(3-5-15)16-12-17(19(24)27)25-13-18(16)28-11-1-8-26-9-6-20(22,23)7-10-26/h2-5,12-13H,1,6-11H2,(H2,24,27).
What are the key properties of 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).