N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C22H25ClN4O2 — CID 119455786

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)c3c(C)noc3n2)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-12-3-5-14(6-4-12)19-11-18(20-13(2)26-28-22(20)25-19)21(27)24-17-9-15-7-8-16(10-17)23-15;/h3-6,11,15-17,23H,7-10H2,1-2H3,(H,24,27);1H
InChIKeyZMSJPCRWOHVBNY-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.94
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119455786) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID119455786
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)c3c(C)noc3n2)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-12-3-5-14(6-4-12)19-11-18(20-13(2)26-28-22(20)25-19)21(27)24-17-9-15-7-8-16(10-17)23-15;/h3-6,11,15-17,23H,7-10H2,1-2H3,(H,24,27);1H
InChIKeyZMSJPCRWOHVBNY-UHFFFAOYSA-N
XLogP3.94
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 96529786
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36814386
N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110883739
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55547863
3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119555650
3-methyl-N-pyrrolidin-3-yl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119451225
N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
3-methyl-6-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119460537
N-cyclopentyl-3-methyl-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315528

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119455786) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is Cc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)c3c(C)noc3n2)cc1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is ZMSJPCRWOHVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/c1-12-3-5-14(6-4-12)19-11-18(20-13(2)26-28-22(20)25-19)21(27)24-17-9-15-7-8-16(10-17)23-15;/h3-6,11,15-17,23H,7-10H2,1-2H3,(H,24,27);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119455786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).