N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide

C22H21BrN4O3 — CID 55818359

IUPACN-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cn4)CC3)on2)cc1
InChIInChI=1S/C22H21BrN4O3/c1-14-2-4-15(5-3-14)18-12-19(30-26-18)22(29)27-10-8-16(9-11-27)21(28)25-20-7-6-17(23)13-24-20/h2-7,12-13,16H,8-11H2,1H3,(H,24,25,28)
InChIKeyGPQYHOGCMXGXQF-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.30
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 55818359) has the molecular formula C22H21BrN4O3 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID55818359
Molecular FormulaC22H21BrN4O3
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cn4)CC3)on2)cc1
InChIInChI=1S/C22H21BrN4O3/c1-14-2-4-15(5-3-14)18-12-19(30-26-18)22(29)27-10-8-16(9-11-27)21(28)25-20-7-6-17(23)13-24-20/h2-7,12-13,16H,8-11H2,1H3,(H,24,25,28)
InChIKeyGPQYHOGCMXGXQF-UHFFFAOYSA-N
XLogP4.30
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
CID 55930750
N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide
CID 55932274
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191
[4-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55666666
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide (CID 55818359) is N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cn4)CC3)on2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is GPQYHOGCMXGXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O3/c1-14-2-4-15(5-3-14)18-12-19(30-26-18)22(29)27-10-8-16(9-11-27)21(28)25-20-7-6-17(23)13-24-20/h2-7,12-13,16H,8-11H2,1H3,(H,24,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 469.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55818359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).