N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H24N4O4 — CID 134789257

IUPACN-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C3CCNC3)c12
InChIInChI=1S/C21H24N4O4/c1-27-10-9-23-20(26)16-11-17(13-3-5-15(28-2)6-4-13)24-21-18(16)19(25-29-21)14-7-8-22-12-14/h3-6,11,14,22H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyUWHCKYGDZUXXRS-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.35
Rot. Bonds7

About N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134789257) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134789257
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C3CCNC3)c12
InChIInChI=1S/C21H24N4O4/c1-27-10-9-23-20(26)16-11-17(13-3-5-15(28-2)6-4-13)24-21-18(16)19(25-29-21)14-7-8-22-12-14/h3-6,11,14,22H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyUWHCKYGDZUXXRS-UHFFFAOYSA-N
XLogP2.35
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134789257) is N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C3CCNC3)c12.
What is the InChIKey of N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UWHCKYGDZUXXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-27-10-9-23-20(26)16-11-17(13-3-5-15(28-2)6-4-13)24-21-18(16)19(25-29-21)14-7-8-22-12-14/h3-6,11,14,22H,7-10,12H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134789257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).