N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide

C16H13N7O — CID 118736789

IUPACN-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cncc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C16H13N7O/c24-16(9-23-10-19-21-22-23)20-12-6-11(7-17-8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,10,18H,9H2,(H,20,24)
InChIKeyVKQICAZNEJYGIA-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.86
Rot. Bonds4

About N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide

N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 118736789) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
PubChem CID118736789
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cncc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C16H13N7O/c24-16(9-23-10-19-21-22-23)20-12-6-11(7-17-8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,10,18H,9H2,(H,20,24)
InChIKeyVKQICAZNEJYGIA-UHFFFAOYSA-N
XLogP1.86
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide (CID 118736789) is N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1cncc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is VKQICAZNEJYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-16(9-23-10-19-21-22-23)20-12-6-11(7-17-8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,10,18H,9H2,(H,20,24).
What are the key properties of N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 319.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 118736789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).