[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

C17H19N5O — CID 56864030

IUPAC[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
SMILESC=CC[C@@H]1CC=C[C@@H](CC=C)N1C(=O)c1ccn2nnnc2c1
InChIInChI=1S/C17H19N5O/c1-3-6-14-8-5-9-15(7-4-2)22(14)17(23)13-10-11-21-16(12-13)18-19-20-21/h3-5,8,10-12,14-15H,1-2,6-7,9H2/t14-,15-/m1/s1
InChIKeyHXIMTDZUVAHEFA-HUUCEWRRSA-N
MW309.37 g/mol
LogP2.42
Rot. Bonds5

About [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (PubChem CID 56864030) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
PubChem CID56864030
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
SMILESC=CC[C@@H]1CC=C[C@@H](CC=C)N1C(=O)c1ccn2nnnc2c1
InChIInChI=1S/C17H19N5O/c1-3-6-14-8-5-9-15(7-4-2)22(14)17(23)13-10-11-21-16(12-13)18-19-20-21/h3-5,8,10-12,14-15H,1-2,6-7,9H2/t14-,15-/m1/s1
InChIKeyHXIMTDZUVAHEFA-HUUCEWRRSA-N
XLogP2.42
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone 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 [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The IUPAC name of [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (CID 56864030) is [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.
What is the SMILES notation for [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The canonical SMILES for [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is C=CC[C@@H]1CC=C[C@@H](CC=C)N1C(=O)c1ccn2nnnc2c1.
What is the InChIKey of [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The InChIKey is HXIMTDZUVAHEFA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-6-14-8-5-9-15(7-4-2)22(14)17(23)13-10-11-21-16(12-13)18-19-20-21/h3-5,8,10-12,14-15H,1-2,6-7,9H2/t14-,15-/m1/s1.
What are the key properties of [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 56864030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).