3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

C20H22N6O3 — CID 50776801

IUPAC3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-n3cnnn3)ccc2N2CCCC2)c1
InChIInChI=1S/C20H22N6O3/c1-28-16-9-14(10-17(12-16)29-2)20(27)22-18-11-15(26-13-21-23-24-26)5-6-19(18)25-7-3-4-8-25/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,22,27)
InChIKeyDEJFOYLHVFERMA-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.53
Rot. Bonds6

About 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 50776801) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID50776801
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-n3cnnn3)ccc2N2CCCC2)c1
InChIInChI=1S/C20H22N6O3/c1-28-16-9-14(10-17(12-16)29-2)20(27)22-18-11-15(26-13-21-23-24-26)5-6-19(18)25-7-3-4-8-25/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,22,27)
InChIKeyDEJFOYLHVFERMA-UHFFFAOYSA-N
XLogP2.53
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50778531
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
CID 50777059
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide (CID 50776801) is 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2cc(-n3cnnn3)ccc2N2CCCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is DEJFOYLHVFERMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-28-16-9-14(10-17(12-16)29-2)20(27)22-18-11-15(26-13-21-23-24-26)5-6-19(18)25-7-3-4-8-25/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,22,27).
What are the key properties of 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 394.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 50776801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).