N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

C20H20N6O — CID 75490589

IUPACN-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)Nc3ccc4ccn(C)c4c3)cc2)n1
InChIInChI=1S/C20H20N6O/c1-13(2)26-23-19(22-24-26)15-4-6-16(7-5-15)20(27)21-17-9-8-14-10-11-25(3)18(14)12-17/h4-13H,1-3H3,(H,21,27)
InChIKeyFFRQLUYHYJAQIC-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.66
Rot. Bonds4

About N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 75490589) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID75490589
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)Nc3ccc4ccn(C)c4c3)cc2)n1
InChIInChI=1S/C20H20N6O/c1-13(2)26-23-19(22-24-26)15-4-6-16(7-5-15)20(27)21-17-9-8-14-10-11-25(3)18(14)12-17/h4-13H,1-3H3,(H,21,27)
InChIKeyFFRQLUYHYJAQIC-UHFFFAOYSA-N
XLogP3.66
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490647
4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75490448
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490471
N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
CID 112521520
N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199
N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide
CID 91411221
N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
CID 131947501
N-(1-methylindol-6-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
CID 71866929
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 98886141
4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662707
1-methylindole-6-carboxamide
CID 22245947

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 75490589) is N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is CC(C)n1nnc(-c2ccc(C(=O)Nc3ccc4ccn(C)c4c3)cc2)n1.
What is the InChIKey of N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is FFRQLUYHYJAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(2)26-23-19(22-24-26)15-4-6-16(7-5-15)20(27)21-17-9-8-14-10-11-25(3)18(14)12-17/h4-13H,1-3H3,(H,21,27).
What are the key properties of N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 360.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 75490589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).