N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide

C20H22N6O2 — CID 51131078

IUPACN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1N1CCC(CNC(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C20H22N6O2/c1-28-19-8-3-2-7-18(19)25-10-9-15(13-25)12-21-20(27)16-5-4-6-17(11-16)26-14-22-23-24-26/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,21,27)
InChIKeyWDCNBVPIDCVQQT-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.93
Rot. Bonds6

About N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51131078) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51131078
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1N1CCC(CNC(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C20H22N6O2/c1-28-19-8-3-2-7-18(19)25-10-9-15(13-25)12-21-20(27)16-5-4-6-17(11-16)26-14-22-23-24-26/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,21,27)
InChIKeyWDCNBVPIDCVQQT-UHFFFAOYSA-N
XLogP1.93
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(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-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647
N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide
CID 97243982
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472228
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472231
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60613992
1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide (CID 51131078) is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide is COc1ccccc1N1CCC(CNC(=O)c2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is WDCNBVPIDCVQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-19-8-3-2-7-18(19)25-10-9-15(13-25)12-21-20(27)16-5-4-6-17(11-16)26-14-22-23-24-26/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,21,27).
What are the key properties of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide?
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 378.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51131078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).