N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide

C25H34N4O2 — CID 90012873

IUPACN-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCC(C)(C)CN1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C25H34N4O2/c1-25(2,3)18-28-13-10-23(11-14-28)31-22-8-6-20(7-9-22)29(21-5-4-12-26-17-21)24(30)19-15-27-16-19/h4-9,12,17,19,23,27H,10-11,13-16,18H2,1-3H3
InChIKeyFLFMGNKVGQUWDG-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.86
Rot. Bonds6

About N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide

N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (PubChem CID 90012873) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
PubChem CID90012873
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCC(C)(C)CN1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C25H34N4O2/c1-25(2,3)18-28-13-10-23(11-14-28)31-22-8-6-20(7-9-22)29(21-5-4-12-26-17-21)24(30)19-15-27-16-19/h4-9,12,17,19,23,27H,10-11,13-16,18H2,1-3H3
InChIKeyFLFMGNKVGQUWDG-UHFFFAOYSA-N
XLogP3.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013185
N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013005
N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013059
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012798
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90013125
N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012334
N,N-dipyridin-3-ylcyclobutanecarboxamide
CID 126532272
N-[4-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]oxyphenyl]-N-[2-(trifluoromethyl)-3-pyridinyl]azetidine-3-carboxamide
CID 90013081
(3S)-N-[4-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90013026
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012619

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (CID 90012873) is N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is CC(C)(C)CN1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The InChIKey is FLFMGNKVGQUWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-25(2,3)18-28-13-10-23(11-14-28)31-22-8-6-20(7-9-22)29(21-5-4-12-26-17-21)24(30)19-15-27-16-19/h4-9,12,17,19,23,27H,10-11,13-16,18H2,1-3H3.
What are the key properties of N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).