3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide

C20H20N6O — CID 49498363

IUPAC3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc(-n4cnnn4)c(C)c3)ccc21
InChIInChI=1S/C20H20N6O/c1-3-9-25-10-8-15-12-17(5-7-19(15)25)22-20(27)16-4-6-18(14(2)11-16)26-13-21-23-24-26/h4-8,10-13H,3,9H2,1-2H3,(H,22,27)
InChIKeyWGQNPDLYRIYMCO-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.59
Rot. Bonds5

About 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide

3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 49498363) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID49498363
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc(-n4cnnn4)c(C)c3)ccc21
InChIInChI=1S/C20H20N6O/c1-3-9-25-10-8-15-12-17(5-7-19(15)25)22-20(27)16-4-6-18(14(2)11-16)26-13-21-23-24-26/h4-8,10-13H,3,9H2,1-2H3,(H,22,27)
InChIKeyWGQNPDLYRIYMCO-UHFFFAOYSA-N
XLogP3.59
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
CID 52806998
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 52503351
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51134126
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(tetrazol-1-yl)benzamide
CID 55616670
2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide
CID 52806948
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide
CID 49498527
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide (CID 49498363) is 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide is CCCn1ccc2cc(NC(=O)c3ccc(-n4cnnn4)c(C)c3)ccc21.
What is the InChIKey of 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is WGQNPDLYRIYMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-3-9-25-10-8-15-12-17(5-7-19(15)25)22-20(27)16-4-6-18(14(2)11-16)26-13-21-23-24-26/h4-8,10-13H,3,9H2,1-2H3,(H,22,27).
What are the key properties of 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide?
3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 360.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 49498363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).