3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide

C20H20N6O2 — CID 56911445

IUPAC3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)c1
InChIInChI=1S/C20H20N6O2/c21-19(27)17-3-1-2-14(11-17)10-15-8-9-25(12-15)20(28)16-4-6-18(7-5-16)26-13-22-23-24-26/h1-7,11,13,15H,8-10,12H2,(H2,21,27)
InChIKeyNPEPMUWDWQMVRR-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.47
Rot. Bonds5

About 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide

3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 56911445) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID56911445
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)c1
InChIInChI=1S/C20H20N6O2/c21-19(27)17-3-1-2-14(11-17)10-15-8-9-25(12-15)20(28)16-4-6-18(7-5-16)26-13-22-23-24-26/h1-7,11,13,15H,8-10,12H2,(H2,21,27)
InChIKeyNPEPMUWDWQMVRR-UHFFFAOYSA-N
XLogP1.47
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3R)-1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95726343
3-[[1-[2-(benzotriazol-2-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56912426
3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95715110
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56911925
3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95728061
3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95711699
3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 86283537
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95709175
3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56896634
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide (CID 56911445) is 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(CC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)c1.
What is the InChIKey of 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is NPEPMUWDWQMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c21-19(27)17-3-1-2-14(11-17)10-15-8-9-25(12-15)20(28)16-4-6-18(7-5-16)26-13-22-23-24-26/h1-7,11,13,15H,8-10,12H2,(H2,21,27).
What are the key properties of 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 56911445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).