4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide

C18H20N6O — CID 71707786

IUPAC4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCCc3ccccn3)cc2)n1
InChIInChI=1S/C18H20N6O/c1-13(2)24-22-17(21-23-24)14-6-8-15(9-7-14)18(25)20-12-10-16-5-3-4-11-19-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,25)
InChIKeyLPKPDKPCTBYXMT-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.29
Rot. Bonds6

About 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide

4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 71707786) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID71707786
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCCc3ccccn3)cc2)n1
InChIInChI=1S/C18H20N6O/c1-13(2)24-22-17(21-23-24)14-6-8-15(9-7-14)18(25)20-12-10-16-5-3-4-11-19-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,25)
InChIKeyLPKPDKPCTBYXMT-UHFFFAOYSA-N
XLogP2.29
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199
N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 71829427
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75491978
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
3-(4-propan-2-ylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97448096
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
CID 58285519
4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide
CID 59697131
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide (CID 71707786) is 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide is CC(C)n1nnc(-c2ccc(C(=O)NCCc3ccccn3)cc2)n1.
What is the InChIKey of 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is LPKPDKPCTBYXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13(2)24-22-17(21-23-24)14-6-8-15(9-7-14)18(25)20-12-10-16-5-3-4-11-19-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,25).
What are the key properties of 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide?
4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 71707786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).