N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide

C25H33N5O2 — CID 162759663

IUPACN-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide
SMILESCCc1nc2nc(NC(=O)c3ccccc3)c(CC)c(NCCCN3CCCCC3)c2o1
InChIInChI=1S/C25H33N5O2/c1-3-19-21(26-14-11-17-30-15-9-6-10-16-30)22-24(27-20(4-2)32-22)28-23(19)29-25(31)18-12-7-5-8-13-18/h5,7-8,12-13H,3-4,6,9-11,14-17H2,1-2H3,(H2,26,28,29,31)
InChIKeySQZKIWUXXJMFIL-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.89
Rot. Bonds9

About N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide

N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide (PubChem CID 162759663) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide
PubChem CID162759663
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide
SMILESCCc1nc2nc(NC(=O)c3ccccc3)c(CC)c(NCCCN3CCCCC3)c2o1
InChIInChI=1S/C25H33N5O2/c1-3-19-21(26-14-11-17-30-15-9-6-10-16-30)22-24(27-20(4-2)32-22)28-23(19)29-25(31)18-12-7-5-8-13-18/h5,7-8,12-13H,3-4,6,9-11,14-17H2,1-2H3,(H2,26,28,29,31)
InChIKeySQZKIWUXXJMFIL-UHFFFAOYSA-N
XLogP4.89
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.89
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-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide?
The IUPAC name of N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide (CID 162759663) is N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide is CCc1nc2nc(NC(=O)c3ccccc3)c(CC)c(NCCCN3CCCCC3)c2o1.
What is the InChIKey of N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide?
The InChIKey is SQZKIWUXXJMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-19-21(26-14-11-17-30-15-9-6-10-16-30)22-24(27-20(4-2)32-22)28-23(19)29-25(31)18-12-7-5-8-13-18/h5,7-8,12-13H,3-4,6,9-11,14-17H2,1-2H3,(H2,26,28,29,31).
What are the key properties of N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide?
N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 162759663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).