N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide

C16H16F2N4O2 — CID 90559382

IUPACN-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H16F2N4O2/c17-12-3-1-4-13(18)15(12)20-16(23)22-9-6-11(7-10-22)24-14-5-2-8-19-21-14/h1-5,8,11H,6-7,9-10H2,(H,20,23)
InChIKeyZCGNMTKZZQQKBT-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.83
Rot. Bonds3

About N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide

N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide (PubChem CID 90559382) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide
PubChem CID90559382
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC NameN-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H16F2N4O2/c17-12-3-1-4-13(18)15(12)20-16(23)22-9-6-11(7-10-22)24-14-5-2-8-19-21-14/h1-5,8,11H,6-7,9-10H2,(H,20,23)
InChIKeyZCGNMTKZZQQKBT-UHFFFAOYSA-N
XLogP2.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
N-(2,6-difluorophenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 71799286
N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559393
3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 90638470
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 71799336
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559367

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide (CID 90559382) is N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide is O=C(Nc1c(F)cccc1F)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide?
The InChIKey is ZCGNMTKZZQQKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-12-3-1-4-13(18)15(12)20-16(23)22-9-6-11(7-10-22)24-14-5-2-8-19-21-14/h1-5,8,11H,6-7,9-10H2,(H,20,23).
What are the key properties of N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide?
N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 90559382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).