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

C16H20N6O2 — CID 91765293

IUPACN-[(1R,5R,6S,7R)-7-pyrrolidin-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]1N1CCCC1)c1ccn2nnnc2c1
InChIInChI=1S/C16H20N6O2/c23-16(10-3-7-22-12(9-10)18-19-20-22)17-13-11-4-8-24-15(11)14(13)21-5-1-2-6-21/h3,7,9,11,13-15H,1-2,4-6,8H2,(H,17,23)/t11-,13+,14-,15-/m1/s1
InChIKeyFPUNCHDLQKZSGX-FAAHXZRKSA-N
MW328.38 g/mol
LogP0.11
Rot. Bonds3

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

N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 91765293) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID91765293
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[(1R,5R,6S,7R)-7-pyrrolidin-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]1N1CCCC1)c1ccn2nnnc2c1
InChIInChI=1S/C16H20N6O2/c23-16(10-3-7-22-12(9-10)18-19-20-22)17-13-11-4-8-24-15(11)14(13)21-5-1-2-6-21/h3,7,9,11,13-15H,1-2,4-6,8H2,(H,17,23)/t11-,13+,14-,15-/m1/s1
InChIKeyFPUNCHDLQKZSGX-FAAHXZRKSA-N
XLogP0.11
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R,5R,6S,7R)-7-pyrrolidin-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-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (CID 91765293) is N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-pyrrolidin-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]1N1CCCC1)c1ccn2nnnc2c1.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is FPUNCHDLQKZSGX-FAAHXZRKSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-16(10-3-7-22-12(9-10)18-19-20-22)17-13-11-4-8-24-15(11)14(13)21-5-1-2-6-21/h3,7,9,11,13-15H,1-2,4-6,8H2,(H,17,23)/t11-,13+,14-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 91765293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).