2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

C19H21F3N4O2 — CID 163238229

IUPAC2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESCOc1ccc(C2CN(C(C)C(=O)Nc3ccc(F)cn3)CC(F)(F)C2)cn1
InChIInChI=1S/C19H21F3N4O2/c1-12(18(27)25-16-5-4-15(20)9-23-16)26-10-14(7-19(21,22)11-26)13-3-6-17(28-2)24-8-13/h3-6,8-9,12,14H,7,10-11H2,1-2H3,(H,23,25,27)
InChIKeyGUUJSVSZUNFUHO-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.08
Rot. Bonds5

About 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (PubChem CID 163238229) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
PubChem CID163238229
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESCOc1ccc(C2CN(C(C)C(=O)Nc3ccc(F)cn3)CC(F)(F)C2)cn1
InChIInChI=1S/C19H21F3N4O2/c1-12(18(27)25-16-5-4-15(20)9-23-16)26-10-14(7-19(21,22)11-26)13-3-6-17(28-2)24-8-13/h3-6,8-9,12,14H,7,10-11H2,1-2H3,(H,23,25,27)
InChIKeyGUUJSVSZUNFUHO-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide
CID 168877661
2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 163237965
2-[3-(5-amino-6-methoxypyridazin-3-yl)-4,4-difluoropiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 163237908
(2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 164584672
N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane
CID 163237865
2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 174230807
(2S)-2-[(3R)-4,4-difluoro-3-[5-oxo-4-(2,2,2-trifluoroethyl)pyrazin-2-yl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 163237776
N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide
CID 174230836
2-(4,4-difluoro-3-prop-1-en-2-ylpiperidin-1-yl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
CID 163238267
N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
CID 174231084
2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 174231184
bis((2S)-2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide);dihydrochloride
CID 165054488

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The IUPAC name of 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (CID 163238229) is 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is COc1ccc(C2CN(C(C)C(=O)Nc3ccc(F)cn3)CC(F)(F)C2)cn1.
What is the InChIKey of 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The InChIKey is GUUJSVSZUNFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-12(18(27)25-16-5-4-15(20)9-23-16)26-10-14(7-19(21,22)11-26)13-3-6-17(28-2)24-8-13/h3-6,8-9,12,14H,7,10-11H2,1-2H3,(H,23,25,27).
What are the key properties of 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide has a molecular weight of 394.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 163238229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).