N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

C17H22N6O — CID 26412938

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C17H22N6O/c24-17(18-15-9-13-5-1-2-6-14(13)10-15)12-23-16(19-20-21-23)11-22-7-3-4-8-22/h1-2,5-6,15H,3-4,7-12H2,(H,18,24)
InChIKeyUJAAFODSRQXRSJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.55
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 26412938) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID26412938
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C17H22N6O/c24-17(18-15-9-13-5-1-2-6-14(13)10-15)12-23-16(19-20-21-23)11-22-7-3-4-8-22/h1-2,5-6,15H,3-4,7-12H2,(H,18,24)
InChIKeyUJAAFODSRQXRSJ-UHFFFAOYSA-N
XLogP0.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45250145
N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 45174100
N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 42158113
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
CID 75357903
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]acetamide
CID 25380891
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 25287941
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]acetamide
CID 45181738
2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 143847152
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 72912535
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 42531125
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26400539

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 26412938) is N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is O=C(Cn1nnnc1CN1CCCC1)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is UJAAFODSRQXRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(18-15-9-13-5-1-2-6-14(13)10-15)12-23-16(19-20-21-23)11-22-7-3-4-8-22/h1-2,5-6,15H,3-4,7-12H2,(H,18,24).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 26412938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).