N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide

C18H20N6O2 — CID 46977923

IUPACN-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(NC(=O)c1cccn2nnnc12)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N6O2/c1-13(14-4-6-15(7-5-14)23-9-11-26-12-10-23)19-18(25)16-3-2-8-24-17(16)20-21-22-24/h2-8,13H,9-12H2,1H3,(H,19,25)
InChIKeyJBQJMNJVTUDQCH-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.45
Rot. Bonds4

About N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide

N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 46977923) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide
PubChem CID46977923
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(NC(=O)c1cccn2nnnc12)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N6O2/c1-13(14-4-6-15(7-5-14)23-9-11-26-12-10-23)19-18(25)16-3-2-8-24-17(16)20-21-22-24/h2-8,13H,9-12H2,1H3,(H,19,25)
InChIKeyJBQJMNJVTUDQCH-UHFFFAOYSA-N
XLogP1.45
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide (CID 46977923) is N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide is CC(NC(=O)c1cccn2nnnc12)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is JBQJMNJVTUDQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13(14-4-6-15(7-5-14)23-9-11-26-12-10-23)19-18(25)16-3-2-8-24-17(16)20-21-22-24/h2-8,13H,9-12H2,1H3,(H,19,25).
What are the key properties of N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-morpholin-4-ylphenyl)ethyl]tetrazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 46977923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).