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

C14H17N5O3 — CID 91765233

IUPACN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H17N5O3/c1-21-7-10-12(9-3-5-22-13(9)10)15-14(20)8-2-4-19-11(6-8)16-17-18-19/h2,4,6,9-10,12-13H,3,5,7H2,1H3,(H,15,20)/t9-,10+,12+,13-/m0/s1
InChIKeyQUVZNLPAUROZQN-YGNMPJRFSA-N
MW303.32 g/mol
LogP-0.10
Rot. Bonds4

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

N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 91765233) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID91765233
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H17N5O3/c1-21-7-10-12(9-3-5-22-13(9)10)15-14(20)8-2-4-19-11(6-8)16-17-18-19/h2,4,6,9-10,12-13H,3,5,7H2,1H3,(H,15,20)/t9-,10+,12+,13-/m0/s1
InChIKeyQUVZNLPAUROZQN-YGNMPJRFSA-N
XLogP-0.10
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-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-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (CID 91765233) is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide is COC[C@@H]1[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is QUVZNLPAUROZQN-YGNMPJRFSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-21-7-10-12(9-3-5-22-13(9)10)15-14(20)8-2-4-19-11(6-8)16-17-18-19/h2,4,6,9-10,12-13H,3,5,7H2,1H3,(H,15,20)/t9-,10+,12+,13-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 303.32 g/mol, XLogP of -0.10, 4 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-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 91765233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).