N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C28H35N5O3 — CID 55706561

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c12
InChIInChI=1S/C28H35N5O3/c1-28(2,3)16-23-25-21(15-22(18-9-10-18)31-27(25)36-32-23)26(35)30-20-11-13-33(14-12-20)17-24(34)29-19-7-5-4-6-8-19/h4-8,15,18,20H,9-14,16-17H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyHAONFUREZRXLKT-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.52
Rot. Bonds7

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55706561) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55706561
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c12
InChIInChI=1S/C28H35N5O3/c1-28(2,3)16-23-25-21(15-22(18-9-10-18)31-27(25)36-32-23)26(35)30-20-11-13-33(14-12-20)17-24(34)29-19-7-5-4-6-8-19/h4-8,15,18,20H,9-14,16-17H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyHAONFUREZRXLKT-UHFFFAOYSA-N
XLogP4.52
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55706561) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c12.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HAONFUREZRXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-28(2,3)16-23-25-21(15-22(18-9-10-18)31-27(25)36-32-23)26(35)30-20-11-13-33(14-12-20)17-24(34)29-19-7-5-4-6-8-19/h4-8,15,18,20H,9-14,16-17H2,1-3H3,(H,29,34)(H,30,35).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55706561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).