2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C21H24N6O — CID 131924497

IUPAC2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)Nc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C21H24N6O/c1-16-23-24-25-27(16)19-10-8-17(9-11-19)14-21(28)22-20-7-3-2-6-18(20)15-26-12-4-5-13-26/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,28)
InChIKeyDWIICTKKHUJHBC-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 131924497) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID131924497
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)Nc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C21H24N6O/c1-16-23-24-25-27(16)19-10-8-17(9-11-19)14-21(28)22-20-7-3-2-6-18(20)15-26-12-4-5-13-26/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,28)
InChIKeyDWIICTKKHUJHBC-UHFFFAOYSA-N
XLogP2.75
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]acetamide
CID 60850877
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 46957593
N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131901993
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 55676989
N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405208
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 104902926
5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
CID 46968234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 131924497) is 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide is Cc1nnnn1-c1ccc(CC(=O)Nc2ccccc2CN2CCCC2)cc1.
What is the InChIKey of 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is DWIICTKKHUJHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-16-23-24-25-27(16)19-10-8-17(9-11-19)14-21(28)22-20-7-3-2-6-18(20)15-26-12-4-5-13-26/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,28).
What are the key properties of 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 131924497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).