N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide

C16H22N6O — CID 71703495

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
SMILESCCN1CCCC1CNC(=O)c1ccccc1-n1nnnc1C
InChIInChI=1S/C16H22N6O/c1-3-21-10-6-7-13(21)11-17-16(23)14-8-4-5-9-15(14)22-12(2)18-19-20-22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,23)
InChIKeyXMEQIMNYOLAJLK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.18
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide (PubChem CID 71703495) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
PubChem CID71703495
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
SMILESCCN1CCCC1CNC(=O)c1ccccc1-n1nnnc1C
InChIInChI=1S/C16H22N6O/c1-3-21-10-6-7-13(21)11-17-16(23)14-8-4-5-9-15(14)22-12(2)18-19-20-22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,23)
InChIKeyXMEQIMNYOLAJLK-UHFFFAOYSA-N
XLogP1.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide
CID 124730047
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62165371
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
CID 62165895
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide
CID 54166911
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide (CID 71703495) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide is CCN1CCCC1CNC(=O)c1ccccc1-n1nnnc1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is XMEQIMNYOLAJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-21-10-6-7-13(21)11-17-16(23)14-8-4-5-9-15(14)22-12(2)18-19-20-22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 71703495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).