N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C17H21N3O2 — CID 95775951

IUPACN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cn12
InChIInChI=1S/C17H21N3O2/c1-10-5-4-6-13-18-12(9-20(10)13)16(21)19-14-11-7-8-22-15(11)17(14,2)3/h4-6,9,11,14-15H,7-8H2,1-3H3,(H,19,21)/t11-,14-,15+/m1/s1
InChIKeyCJKIZJHSRIMFCY-DFBGVHRSSA-N
MW299.37 g/mol
LogP2.19
Rot. Bonds2

About N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 95775951) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID95775951
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cn12
InChIInChI=1S/C17H21N3O2/c1-10-5-4-6-13-18-12(9-20(10)13)16(21)19-14-11-7-8-22-15(11)17(14,2)3/h4-6,9,11,14-15H,7-8H2,1-3H3,(H,19,21)/t11-,14-,15+/m1/s1
InChIKeyCJKIZJHSRIMFCY-DFBGVHRSSA-N
XLogP2.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 95775951) is N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cn12.
What is the InChIKey of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CJKIZJHSRIMFCY-DFBGVHRSSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-5-4-6-13-18-12(9-20(10)13)16(21)19-14-11-7-8-22-15(11)17(14,2)3/h4-6,9,11,14-15H,7-8H2,1-3H3,(H,19,21)/t11-,14-,15+/m1/s1.
What are the key properties of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 95775951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).