N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide

C13H16N6O — CID 110499477

IUPACN-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H16N6O/c20-13(9-12-15-17-18-16-12)14-10-3-5-11(6-4-10)19-7-1-2-8-19/h3-6H,1-2,7-9H2,(H,14,20)(H,15,16,17,18)
InChIKeyHETXZUGTCAAUMN-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.98
Rot. Bonds4

About N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499477) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499477
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H16N6O/c20-13(9-12-15-17-18-16-12)14-10-3-5-11(6-4-10)19-7-1-2-8-19/h3-6H,1-2,7-9H2,(H,14,20)(H,15,16,17,18)
InChIKeyHETXZUGTCAAUMN-UHFFFAOYSA-N
XLogP0.98
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499477) is N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is HETXZUGTCAAUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(9-12-15-17-18-16-12)14-10-3-5-11(6-4-10)19-7-1-2-8-19/h3-6H,1-2,7-9H2,(H,14,20)(H,15,16,17,18).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).