N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

C16H16N6O — CID 645676

IUPACN-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)NCCc1ccccc1
InChIInChI=1S/C16H16N6O/c23-15(18-11-6-13-4-2-1-3-5-13)12-22-20-16(19-21-22)14-7-9-17-10-8-14/h1-5,7-10H,6,11-12H2,(H,18,23)
InChIKeyLBKLQNVUPVGOQI-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.09
Rot. Bonds6

About N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (PubChem CID 645676) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
PubChem CID645676
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)NCCc1ccccc1
InChIInChI=1S/C16H16N6O/c23-15(18-11-6-13-4-2-1-3-5-13)12-22-20-16(19-21-22)14-7-9-17-10-8-14/h1-5,7-10H,6,11-12H2,(H,18,23)
InChIKeyLBKLQNVUPVGOQI-UHFFFAOYSA-N
XLogP1.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (CID 645676) is N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)n1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The InChIKey is LBKLQNVUPVGOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-15(18-11-6-13-4-2-1-3-5-13)12-22-20-16(19-21-22)14-7-9-17-10-8-14/h1-5,7-10H,6,11-12H2,(H,18,23).
What are the key properties of N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 645676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).