N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H24N4O2 — CID 36814386

IUPACN-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1
InChIInChI=1S/C21H24N4O2/c1-3-25-11-9-16(10-12-25)22-20(26)17-13-18(15-7-5-4-6-8-15)23-21-19(17)14(2)24-27-21/h4-8,13,16H,3,9-12H2,1-2H3,(H,22,26)
InChIKeyFPBKYMLFBQFKCX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.41
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 36814386) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID36814386
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1
InChIInChI=1S/C21H24N4O2/c1-3-25-11-9-16(10-12-25)22-20(26)17-13-18(15-7-5-4-6-8-15)23-21-19(17)14(2)24-27-21/h4-8,13,16H,3,9-12H2,1-2H3,(H,22,26)
InChIKeyFPBKYMLFBQFKCX-UHFFFAOYSA-N
XLogP3.41
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
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-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38199441
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212740
6-cyclopropyl-3-methyl-N-(1-propylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86916614
6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 96529786
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
3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55706061
N-cyclopentyl-3-methyl-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315528
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 163086851
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 36814386) is N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FPBKYMLFBQFKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-25-11-9-16(10-12-25)22-20(26)17-13-18(15-7-5-4-6-8-15)23-21-19(17)14(2)24-27-21/h4-8,13,16H,3,9-12H2,1-2H3,(H,22,26).
What are the key properties of N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 36814386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).