N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide

C16H18N6O2 — CID 167952489

IUPACN-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide
SMILESN#CCc1ccc(NC(=O)Cn2nnn(C3CCCC3)c2=O)cc1
InChIInChI=1S/C16H18N6O2/c17-10-9-12-5-7-13(8-6-12)18-15(23)11-21-16(24)22(20-19-21)14-3-1-2-4-14/h5-8,14H,1-4,9,11H2,(H,18,23)
InChIKeyCOSIDRSXQOOXKJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.26
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide

N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide (PubChem CID 167952489) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide
PubChem CID167952489
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide
SMILESN#CCc1ccc(NC(=O)Cn2nnn(C3CCCC3)c2=O)cc1
InChIInChI=1S/C16H18N6O2/c17-10-9-12-5-7-13(8-6-12)18-15(23)11-21-16(24)22(20-19-21)14-3-1-2-4-14/h5-8,14H,1-4,9,11H2,(H,18,23)
InChIKeyCOSIDRSXQOOXKJ-UHFFFAOYSA-N
XLogP1.26
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8954797
N-[4-(cyanomethyl)phenyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410718
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
N-[4-(cyanomethyl)phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 84965874
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9034213
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-[4-(cyanomethyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9031849
N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide
CID 166386192
N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide
CID 95615021
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
CID 156797994
N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
CID 62674886

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide (CID 167952489) is N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide is N#CCc1ccc(NC(=O)Cn2nnn(C3CCCC3)c2=O)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide?
The InChIKey is COSIDRSXQOOXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c17-10-9-12-5-7-13(8-6-12)18-15(23)11-21-16(24)22(20-19-21)14-3-1-2-4-14/h5-8,14H,1-4,9,11H2,(H,18,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide is sourced from PubChem (CID 167952489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).