2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide

C19H24FN5O2 — CID 175704524

IUPAC2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc(C2CC(C)CN(C(C)(C(N)=O)c3ccc(F)cn3)C2)nn1
InChIInChI=1S/C19H24FN5O2/c1-12-8-13(15-5-7-17(27-3)24-23-15)11-25(10-12)19(2,18(21)26)16-6-4-14(20)9-22-16/h4-7,9,12-13H,8,10-11H2,1-3H3,(H2,21,26)
InChIKeyWYXFGZMSXVJRBU-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.85
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide

2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide (PubChem CID 175704524) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide
PubChem CID175704524
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc(C2CC(C)CN(C(C)(C(N)=O)c3ccc(F)cn3)C2)nn1
InChIInChI=1S/C19H24FN5O2/c1-12-8-13(15-5-7-17(27-3)24-23-15)11-25(10-12)19(2,18(21)26)16-6-4-14(20)9-22-16/h4-7,9,12-13H,8,10-11H2,1-3H3,(H2,21,26)
InChIKeyWYXFGZMSXVJRBU-UHFFFAOYSA-N
XLogP1.85
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750427
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119001
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
CID 126758640
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide
CID 175704322
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 60569232
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000
2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 119136071
methyl (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylpropanoate
CID 97034680
2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide
CID 175704330

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide (CID 175704524) is 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide is COc1ccc(C2CC(C)CN(C(C)(C(N)=O)c3ccc(F)cn3)C2)nn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide?
The InChIKey is WYXFGZMSXVJRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-12-8-13(15-5-7-17(27-3)24-23-15)11-25(10-12)19(2,18(21)26)16-6-4-14(20)9-22-16/h4-7,9,12-13H,8,10-11H2,1-3H3,(H2,21,26).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide?
2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide has a molecular weight of 373.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-2-[3-(6-methoxypyridazin-3-yl)-5-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 175704524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).