2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide

C19H26N6O — CID 45247652

IUPAC2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)Cc5ccn(C)c5)(C4)C2)C3)n1
InChIInChI=1S/C19H26N6O/c1-13-21-23-25(22-13)19-9-15-5-16(10-19)8-18(7-15,12-19)20-17(26)6-14-3-4-24(2)11-14/h3-4,11,15-16H,5-10,12H2,1-2H3,(H,20,26)
InChIKeyOZAHAEBAEDLHCA-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.73
Rot. Bonds4

About 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide

2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide (PubChem CID 45247652) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
PubChem CID45247652
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)Cc5ccn(C)c5)(C4)C2)C3)n1
InChIInChI=1S/C19H26N6O/c1-13-21-23-25(22-13)19-9-15-5-16(10-19)8-18(7-15,12-19)20-17(26)6-14-3-4-24(2)11-14/h3-4,11,15-16H,5-10,12H2,1-2H3,(H,20,26)
InChIKeyOZAHAEBAEDLHCA-UHFFFAOYSA-N
XLogP1.73
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide (CID 45247652) is 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide is Cc1nnn(C23CC4CC(CC(NC(=O)Cc5ccn(C)c5)(C4)C2)C3)n1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide?
The InChIKey is OZAHAEBAEDLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-21-23-25(22-13)19-9-15-5-16(10-19)8-18(7-15,12-19)20-17(26)6-14-3-4-24(2)11-14/h3-4,11,15-16H,5-10,12H2,1-2H3,(H,20,26).
What are the key properties of 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide?
2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide has a molecular weight of 354.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide is sourced from PubChem (CID 45247652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).