N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

C19H22F2N4O2 — CID 91907033

IUPACN-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCc3cc(F)cc(F)c3)C2)cc1=O
InChIInChI=1S/C19H22F2N4O2/c1-24-19(27)9-17(11-23-24)25-4-2-3-13(12-25)7-18(26)22-10-14-5-15(20)8-16(21)6-14/h5-6,8-9,11,13H,2-4,7,10,12H2,1H3,(H,22,26)
InChIKeyMMPVYLWFRPBCBG-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.98
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91907033) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91907033
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCc3cc(F)cc(F)c3)C2)cc1=O
InChIInChI=1S/C19H22F2N4O2/c1-24-19(27)9-17(11-23-24)25-4-2-3-13(12-25)7-18(26)22-10-14-5-15(20)8-16(21)6-14/h5-6,8-9,11,13H,2-4,7,10,12H2,1H3,(H,22,26)
InChIKeyMMPVYLWFRPBCBG-UHFFFAOYSA-N
XLogP1.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10239861, Example 42
CID 121476433
US10239861, Example 56
CID 121476442
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(2-fluorophenyl)acetamide
CID 91911787
N-(2-Fluorophenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91917368
1-(1-Benzyl-6-oxo-1,6-dihydropyridazin-4-YL)-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide
CID 53204165
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-(3-fluorophenyl)acetamide
CID 91907122
N-Benzyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91907138
1-(1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide
CID 27376603
2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
CID 53012191
3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
CID 53200748
5-[(3-chloro-4-methylphenyl)sulfonyl]-1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 53200754
N-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-propylbenzenesulfonamide
CID 53200801

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91907033) is N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is Cn1ncc(N2CCCC(CC(=O)NCc3cc(F)cc(F)c3)C2)cc1=O.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is MMPVYLWFRPBCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-24-19(27)9-17(11-23-24)25-4-2-3-13(12-25)7-18(26)22-10-14-5-15(20)8-16(21)6-14/h5-6,8-9,11,13H,2-4,7,10,12H2,1H3,(H,22,26).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 376.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91907033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).