1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C22H21BrN4O4 — CID 55788479

IUPAC1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(Oc4ccc(Br)cc4)nc3)CC2)no1
InChIInChI=1S/C22H21BrN4O4/c1-14-12-19(26-31-14)25-21(28)15-8-10-27(11-9-15)22(29)16-2-7-20(24-13-16)30-18-5-3-17(23)4-6-18/h2-7,12-13,15H,8-11H2,1H3,(H,25,26,28)
InChIKeyLXXKOCIAVXGOQF-UHFFFAOYSA-N
MW485.34 g/mol
LogP4.42
Rot. Bonds5

About 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 55788479) has the molecular formula C22H21BrN4O4 and a molecular weight of 485.34 g/mol. Its IUPAC name is 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID55788479
Molecular FormulaC22H21BrN4O4
Molecular Weight485.34 g/mol
Exact Mass484.07
IUPAC Name1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(Oc4ccc(Br)cc4)nc3)CC2)no1
InChIInChI=1S/C22H21BrN4O4/c1-14-12-19(26-31-14)25-21(28)15-8-10-27(11-9-15)22(29)16-2-7-20(24-13-16)30-18-5-3-17(23)4-6-18/h2-7,12-13,15H,8-11H2,1H3,(H,25,26,28)
InChIKeyLXXKOCIAVXGOQF-UHFFFAOYSA-N
XLogP4.42
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119559842
[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844
N-(5-methyl-1,2-oxazol-3-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 39702361
N-ethyl-1-(6-phenoxypyridine-3-carbonyl)piperidine-4-carboxamide
CID 87016013
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113
[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 166191127
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 134026755
1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 75463174
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[6-(4-bromophenoxy)-3-pyridinyl]methanone
CID 124611130

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 55788479) is 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Oc4ccc(Br)cc4)nc3)CC2)no1.
What is the InChIKey of 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is LXXKOCIAVXGOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O4/c1-14-12-19(26-31-14)25-21(28)15-8-10-27(11-9-15)22(29)16-2-7-20(24-13-16)30-18-5-3-17(23)4-6-18/h2-7,12-13,15H,8-11H2,1H3,(H,25,26,28).
What are the key properties of 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 485.34 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55788479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).