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

C17H22N6O2 — CID 164633073

IUPACN-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccn2nnnc2c1
InChIInChI=1S/C17H22N6O2/c24-17(11-4-8-23-13(10-11)19-20-21-23)18-14-12-5-9-25-16(12)15(14)22-6-2-1-3-7-22/h4,8,10,12,14-16H,1-3,5-7,9H2,(H,18,24)/t12-,14+,15-,16-/m0/s1
InChIKeyOCNDOOHQQIUNTQ-UKMLZYKCSA-N
MW342.40 g/mol
LogP0.50
Rot. Bonds3

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

N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 164633073) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID164633073
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccn2nnnc2c1
InChIInChI=1S/C17H22N6O2/c24-17(11-4-8-23-13(10-11)19-20-21-23)18-14-12-5-9-25-16(12)15(14)22-6-2-1-3-7-22/h4,8,10,12,14-16H,1-3,5-7,9H2,(H,18,24)/t12-,14+,15-,16-/m0/s1
InChIKeyOCNDOOHQQIUNTQ-UKMLZYKCSA-N
XLogP0.50
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (CID 164633073) is N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide is O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccn2nnnc2c1.
What is the InChIKey of N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is OCNDOOHQQIUNTQ-UKMLZYKCSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-17(11-4-8-23-13(10-11)19-20-21-23)18-14-12-5-9-25-16(12)15(14)22-6-2-1-3-7-22/h4,8,10,12,14-16H,1-3,5-7,9H2,(H,18,24)/t12-,14+,15-,16-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 164633073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).