N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

C26H25F2N5O3 — CID 90012619

IUPACN-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C26H25F2N5O3/c27-22-8-3-17(14-23(22)28)25(34)32-12-9-21(10-13-32)36-20-6-4-19(5-7-20)33(24-2-1-11-30-31-24)26(35)18-15-29-16-18/h1-8,11,14,18,21,29H,9-10,12-13,15-16H2
InChIKeyBNCLCJWZJAPEAN-UHFFFAOYSA-N
MW493.51 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (PubChem CID 90012619) has the molecular formula C26H25F2N5O3 and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
PubChem CID90012619
Molecular FormulaC26H25F2N5O3
Molecular Weight493.51 g/mol
Exact Mass493.19
IUPAC NameN-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C26H25F2N5O3/c27-22-8-3-17(14-23(22)28)25(34)32-12-9-21(10-13-32)36-20-6-4-19(5-7-20)33(24-2-1-11-30-31-24)26(35)18-15-29-16-18/h1-8,11,14,18,21,29H,9-10,12-13,15-16H2
InChIKeyBNCLCJWZJAPEAN-UHFFFAOYSA-N
XLogP3.32
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012334
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012798
(3S)-N-[4-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90013026
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]sulfonylphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012472
(3S)-N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90012897
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012466
N-(4-bromophenyl)-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012662
tert-butyl 4-[4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 90012282
N-[4-[1-(2-naphthalen-2-ylacetyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90013075
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013185
N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012060

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (CID 90012619) is N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is O=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1.
What is the InChIKey of N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The InChIKey is BNCLCJWZJAPEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3/c27-22-8-3-17(14-23(22)28)25(34)32-12-9-21(10-13-32)36-20-6-4-19(5-7-20)33(24-2-1-11-30-31-24)26(35)18-15-29-16-18/h1-8,11,14,18,21,29H,9-10,12-13,15-16H2.
What are the key properties of N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).