N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide

C18H26N2O3 — CID 97242334

IUPACN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1
InChIInChI=1S/C18H26N2O3/c1-11(2)23-14-8-6-7-13(19-14)17(21)20(5)15-12-9-10-22-16(12)18(15,3)4/h6-8,11-12,15-16H,9-10H2,1-5H3/t12-,15-,16+/m1/s1
InChIKeyVNUBKMIHKLMXMD-WQVCFCJDSA-N
MW318.42 g/mol
LogP2.75
Rot. Bonds4

About N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide

N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide (PubChem CID 97242334) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide
PubChem CID97242334
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1
InChIInChI=1S/C18H26N2O3/c1-11(2)23-14-8-6-7-13(19-14)17(21)20(5)15-12-9-10-22-16(12)18(15,3)4/h6-8,11-12,15-16H,9-10H2,1-5H3/t12-,15-,16+/m1/s1
InChIKeyVNUBKMIHKLMXMD-WQVCFCJDSA-N
XLogP2.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
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]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide?
The IUPAC name of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide (CID 97242334) is N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide?
The canonical SMILES for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide is CC(C)Oc1cccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1.
What is the InChIKey of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide?
The InChIKey is VNUBKMIHKLMXMD-WQVCFCJDSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(2)23-14-8-6-7-13(19-14)17(21)20(5)15-12-9-10-22-16(12)18(15,3)4/h6-8,11-12,15-16H,9-10H2,1-5H3/t12-,15-,16+/m1/s1.
What are the key properties of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide?
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 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]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide is sourced from PubChem (CID 97242334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).