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

C17H24N4O3 — CID 134788817

IUPACN-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc2onc(C3CCCNC3)c12
InChIInChI=1S/C17H24N4O3/c1-11-9-13(16(22)19-7-4-8-23-2)14-15(21-24-17(14)20-11)12-5-3-6-18-10-12/h9,12,18H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyMAXMRCLIRVMBQG-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.76
Rot. Bonds6

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

N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134788817) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134788817
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc2onc(C3CCCNC3)c12
InChIInChI=1S/C17H24N4O3/c1-11-9-13(16(22)19-7-4-8-23-2)14-15(21-24-17(14)20-11)12-5-3-6-18-10-12/h9,12,18H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyMAXMRCLIRVMBQG-UHFFFAOYSA-N
XLogP1.76
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134788817) is N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCCCNC(=O)c1cc(C)nc2onc(C3CCCNC3)c12.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MAXMRCLIRVMBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-9-13(16(22)19-7-4-8-23-2)14-15(21-24-17(14)20-11)12-5-3-6-18-10-12/h9,12,18H,3-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).