N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide

C21H25N5O3 — CID 90013125

IUPACN-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
SMILESCC(C)C(=O)N1CC(Oc2ccc(N(C(=O)C3CNC3)c3ccnnc3)cc2)C1
InChIInChI=1S/C21H25N5O3/c1-14(2)20(27)25-12-19(13-25)29-18-5-3-16(4-6-18)26(17-7-8-23-24-11-17)21(28)15-9-22-10-15/h3-8,11,14-15,19,22H,9-10,12-13H2,1-2H3
InChIKeyFEJOQSPLKNGHND-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.61
Rot. Bonds6

About N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide

N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide (PubChem CID 90013125) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
PubChem CID90013125
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
SMILESCC(C)C(=O)N1CC(Oc2ccc(N(C(=O)C3CNC3)c3ccnnc3)cc2)C1
InChIInChI=1S/C21H25N5O3/c1-14(2)20(27)25-12-19(13-25)29-18-5-3-16(4-6-18)26(17-7-8-23-24-11-17)21(28)15-9-22-10-15/h3-8,11,14-15,19,22H,9-10,12-13H2,1-2H3
InChIKeyFEJOQSPLKNGHND-UHFFFAOYSA-N
XLogP1.61
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012798
N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013005
N-[4-[1-(2-methylbutyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013162
N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012060
N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012873
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013185
N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012505
N-pyridazin-4-yl-N-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxyphenyl]azetidine-3-carboxamide
CID 90012981
2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 119073145
N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012334
(3S)-N-[4-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90013026
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide (CID 90013125) is N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide is CC(C)C(=O)N1CC(Oc2ccc(N(C(=O)C3CNC3)c3ccnnc3)cc2)C1.
What is the InChIKey of N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
The InChIKey is FEJOQSPLKNGHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14(2)20(27)25-12-19(13-25)29-18-5-3-16(4-6-18)26(17-7-8-23-24-11-17)21(28)15-9-22-10-15/h3-8,11,14-15,19,22H,9-10,12-13H2,1-2H3.
What are the key properties of N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide is sourced from PubChem (CID 90013125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).