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

C22H23N5O4 — CID 56534262

IUPAC3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cc(-c2ccccc2)nc2onc(C)c12
InChIInChI=1S/C22H23N5O4/c1-13-19-15(11-16(25-22(19)31-26-13)14-7-4-3-5-8-14)20(29)24-12-18(28)27-10-6-9-17(27)21(30)23-2/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3,(H,23,30)(H,24,29)
InChIKeyWAKGJDKIJYMTPU-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.67
Rot. Bonds5

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

3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56534262) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56534262
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cc(-c2ccccc2)nc2onc(C)c12
InChIInChI=1S/C22H23N5O4/c1-13-19-15(11-16(25-22(19)31-26-13)14-7-4-3-5-8-14)20(29)24-12-18(28)27-10-6-9-17(27)21(30)23-2/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3,(H,23,30)(H,24,29)
InChIKeyWAKGJDKIJYMTPU-UHFFFAOYSA-N
XLogP1.67
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 56534262) is 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)c1cc(-c2ccccc2)nc2onc(C)c12.
What is the InChIKey of 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WAKGJDKIJYMTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-13-19-15(11-16(25-22(19)31-26-13)14-7-4-3-5-8-14)20(29)24-12-18(28)27-10-6-9-17(27)21(30)23-2/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3,(H,23,30)(H,24,29).
What are the key properties of 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56534262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).