6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide

C16H18N6O — CID 128866997

IUPAC6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CCc4nnnn4CC3)[nH]c2c1
InChIInChI=1S/C16H18N6O/c1-10-2-3-11-9-14(18-13(11)8-10)16(23)17-12-4-5-15-19-20-21-22(15)7-6-12/h2-3,8-9,12,18H,4-7H2,1H3,(H,17,23)
InChIKeyGYCBYFHMHFDTQA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.60
Rot. Bonds2

About 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide

6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide (PubChem CID 128866997) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide
PubChem CID128866997
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CCc4nnnn4CC3)[nH]c2c1
InChIInChI=1S/C16H18N6O/c1-10-2-3-11-9-14(18-13(11)8-10)16(23)17-12-4-5-15-19-20-21-22(15)7-6-12/h2-3,8-9,12,18H,4-7H2,1H3,(H,17,23)
InChIKeyGYCBYFHMHFDTQA-UHFFFAOYSA-N
XLogP1.60
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
6-methyl-N-[1-[2-(6-oxopiperidin-3-yl)acetyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 166389306
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
CID 124841975
N-cyclooctyl-6-hydroxy-1H-indole-2-carboxamide
CID 171355249
N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 91818427
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide (CID 128866997) is 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NC3CCc4nnnn4CC3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide?
The InChIKey is GYCBYFHMHFDTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10-2-3-11-9-14(18-13(11)8-10)16(23)17-12-4-5-15-19-20-21-22(15)7-6-12/h2-3,8-9,12,18H,4-7H2,1H3,(H,17,23).
What are the key properties of 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide?
6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 128866997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).