6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C26H25FN4O3 — CID 43066610

IUPAC6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C26H25FN4O3/c1-4-13-31(15-23(32)28-21-12-8-5-9-16(21)2)26(33)19-14-22(18-10-6-7-11-20(18)27)29-25-24(19)17(3)30-34-25/h5-12,14H,4,13,15H2,1-3H3,(H,28,32)
InChIKeyCDHBFOFKVOZEFD-UHFFFAOYSA-N
MW460.51 g/mol
LogP5.14
Rot. Bonds7

About 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43066610) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43066610
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C26H25FN4O3/c1-4-13-31(15-23(32)28-21-12-8-5-9-16(21)2)26(33)19-14-22(18-10-6-7-11-20(18)27)29-25-24(19)17(3)30-34-25/h5-12,14H,4,13,15H2,1-3H3,(H,28,32)
InChIKeyCDHBFOFKVOZEFD-UHFFFAOYSA-N
XLogP5.14
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25467427
6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166198929
7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
CID 31978902
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831721
phenyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24603258
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(2-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42933313
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
N-ethyl-6-(furan-2-yl)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47029268
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 43066610) is 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12.
What is the InChIKey of 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CDHBFOFKVOZEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-4-13-31(15-23(32)28-21-12-8-5-9-16(21)2)26(33)19-14-22(18-10-6-7-11-20(18)27)29-25-24(19)17(3)30-34-25/h5-12,14H,4,13,15H2,1-3H3,(H,28,32).
What are the key properties of 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43066610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).