3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide

C24H24N6O3 — CID 26347123

IUPAC3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C24H24N6O3/c1-4-29(15-17-7-9-25-10-8-17)24(31)20-11-19(12-21(13-20)30-16-26-27-28-30)18-5-6-22(32-2)23(14-18)33-3/h5-14,16H,4,15H2,1-3H3
InChIKeyLXDXIGRDVLXHBT-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.40
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide

3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 26347123) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
PubChem CID26347123
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C24H24N6O3/c1-4-29(15-17-7-9-25-10-8-17)24(31)20-11-19(12-21(13-20)30-16-26-27-28-30)18-5-6-22(32-2)23(14-18)33-3/h5-14,16H,4,15H2,1-3H3
InChIKeyLXDXIGRDVLXHBT-UHFFFAOYSA-N
XLogP3.40
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)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

N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
CID 42540851
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818
2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide
CID 91958146
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
CID 26360827
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
CID 167816492
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 56859401

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide (CID 26347123) is 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide is CCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is LXDXIGRDVLXHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-4-29(15-17-7-9-25-10-8-17)24(31)20-11-19(12-21(13-20)30-16-26-27-28-30)18-5-6-22(32-2)23(14-18)33-3/h5-14,16H,4,15H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide?
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 444.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26347123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).