3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O2 — CID 119555650

IUPAC3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC3CCCNC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C22H26N4O2/c1-14-5-7-17(8-6-14)19-12-18(20-15(2)26-28-22(20)25-19)21(27)24-11-9-16-4-3-10-23-13-16/h5-8,12,16,23H,3-4,9-11,13H2,1-2H3,(H,24,27)
InChIKeyHSVYBBHKPFERDS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.63
Rot. Bonds5

About 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119555650) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119555650
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC3CCCNC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C22H26N4O2/c1-14-5-7-17(8-6-14)19-12-18(20-15(2)26-28-22(20)25-19)21(27)24-11-9-16-4-3-10-23-13-16/h5-8,12,16,23H,3-4,9-11,13H2,1-2H3,(H,24,27)
InChIKeyHSVYBBHKPFERDS-UHFFFAOYSA-N
XLogP3.63
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3-methyl-6-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119460537
N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110883739
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-(piperidin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119462441
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 96529786
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119555650) is 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCC3CCCNC3)c3c(C)noc3n2)cc1.
What is the InChIKey of 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HSVYBBHKPFERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-5-7-17(8-6-14)19-12-18(20-15(2)26-28-22(20)25-19)21(27)24-11-9-16-4-3-10-23-13-16/h5-8,12,16,23H,3-4,9-11,13H2,1-2H3,(H,24,27).
What are the key properties of 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119555650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).