6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide

C15H18N6O2 — CID 124841551

IUPAC6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)N[C@@H](C)c3nnnn3C)[nH]c2c1
InChIInChI=1S/C15H18N6O2/c1-4-23-11-6-5-10-7-13(17-12(10)8-11)15(22)16-9(2)14-18-19-20-21(14)3/h5-9,17H,4H2,1-3H3,(H,16,22)/t9-/m0/s1
InChIKeyARZIFHQIFMRKNH-VIFPVBQESA-N
MW314.35 g/mol
LogP1.58
Rot. Bonds5

About 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide

6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 124841551) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID124841551
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)N[C@@H](C)c3nnnn3C)[nH]c2c1
InChIInChI=1S/C15H18N6O2/c1-4-23-11-6-5-10-7-13(17-12(10)8-11)15(22)16-9(2)14-18-19-20-21(14)3/h5-9,17H,4H2,1-3H3,(H,16,22)/t9-/m0/s1
InChIKeyARZIFHQIFMRKNH-VIFPVBQESA-N
XLogP1.58
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide (CID 124841551) is 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)N[C@@H](C)c3nnnn3C)[nH]c2c1.
What is the InChIKey of 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is ARZIFHQIFMRKNH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N6O2/c1-4-23-11-6-5-10-7-13(17-12(10)8-11)15(22)16-9(2)14-18-19-20-21(14)3/h5-9,17H,4H2,1-3H3,(H,16,22)/t9-/m0/s1.
What are the key properties of 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide?
6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 124841551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).