6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H24ClN5O2 — CID 167926961

IUPAC6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)NCC3CN4CCCN3CC4)c12
InChIInChI=1S/C22H24ClN5O2/c1-14-20-18(21(29)24-12-17-13-27-6-3-7-28(17)9-8-27)11-19(25-22(20)30-26-14)15-4-2-5-16(23)10-15/h2,4-5,10-11,17H,3,6-9,12-13H2,1H3,(H,24,29)
InChIKeyNOBAJJOJDXKVQT-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.97
Rot. Bonds4

About 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167926961) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167926961
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)NCC3CN4CCCN3CC4)c12
InChIInChI=1S/C22H24ClN5O2/c1-14-20-18(21(29)24-12-17-13-27-6-3-7-28(17)9-8-27)11-19(25-22(20)30-26-14)15-4-2-5-16(23)10-15/h2,4-5,10-11,17H,3,6-9,12-13H2,1H3,(H,24,29)
InChIKeyNOBAJJOJDXKVQT-UHFFFAOYSA-N
XLogP2.97
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 167926961) is 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)NCC3CN4CCCN3CC4)c12.
What is the InChIKey of 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NOBAJJOJDXKVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-14-20-18(21(29)24-12-17-13-27-6-3-7-28(17)9-8-27)11-19(25-22(20)30-26-14)15-4-2-5-16(23)10-15/h2,4-5,10-11,17H,3,6-9,12-13H2,1H3,(H,24,29).
What are the key properties of 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167926961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).