4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide

C18H22N6O — CID 121240041

IUPAC4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccc1-c1nnn(C)n1)n1cccc1
InChIInChI=1S/C18H22N6O/c1-13(2)12-16(24-10-6-7-11-24)18(25)19-15-9-5-4-8-14(15)17-20-22-23(3)21-17/h4-11,13,16H,12H2,1-3H3,(H,19,25)
InChIKeyPEEOMFFGPJMXFZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.90
Rot. Bonds6

About 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide

4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide (PubChem CID 121240041) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide
PubChem CID121240041
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccc1-c1nnn(C)n1)n1cccc1
InChIInChI=1S/C18H22N6O/c1-13(2)12-16(24-10-6-7-11-24)18(25)19-15-9-5-4-8-14(15)17-20-22-23(3)21-17/h4-11,13,16H,12H2,1-3H3,(H,19,25)
InChIKeyPEEOMFFGPJMXFZ-UHFFFAOYSA-N
XLogP2.90
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide?
The IUPAC name of 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide (CID 121240041) is 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide?
The canonical SMILES for 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide is CC(C)CC(C(=O)Nc1ccccc1-c1nnn(C)n1)n1cccc1.
What is the InChIKey of 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide?
The InChIKey is PEEOMFFGPJMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(2)12-16(24-10-6-7-11-24)18(25)19-15-9-5-4-8-14(15)17-20-22-23(3)21-17/h4-11,13,16H,12H2,1-3H3,(H,19,25).
What are the key properties of 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide?
4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide has a molecular weight of 338.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 121240041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).