N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide

C21H24N6O — CID 74248587

IUPACN-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCCN1CCC(c2ccccc2)C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C21H24N6O/c28-21(19-8-6-17(7-9-19)14-27-16-23-24-25-27)22-11-13-26-12-10-20(15-26)18-4-2-1-3-5-18/h1-9,16,20H,10-15H2,(H,22,28)
InChIKeyUFOMQFFVYYOMHS-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.94
Rot. Bonds7

About N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide

N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 74248587) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID74248587
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCCN1CCC(c2ccccc2)C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C21H24N6O/c28-21(19-8-6-17(7-9-19)14-27-16-23-24-25-27)22-11-13-26-12-10-20(15-26)18-4-2-1-3-5-18/h1-9,16,20H,10-15H2,(H,22,28)
InChIKeyUFOMQFFVYYOMHS-UHFFFAOYSA-N
XLogP1.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 74238226
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 131910534
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 91637708
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
CID 118791343
N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
CID 125180086
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42189803

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide (CID 74248587) is N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide is O=C(NCCN1CCC(c2ccccc2)C1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is UFOMQFFVYYOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(19-8-6-17(7-9-19)14-27-16-23-24-25-27)22-11-13-26-12-10-20(15-26)18-4-2-1-3-5-18/h1-9,16,20H,10-15H2,(H,22,28).
What are the key properties of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 74248587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).