6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine

C22H19N3 — CID 11573395

IUPAC6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccccc2)n1
InChIInChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24)
InChIKeyYHVWXXWLRGWNEE-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.85
Rot. Bonds4

About 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine

6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine (PubChem CID 11573395) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine
PubChem CID11573395
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccccc2)n1
InChIInChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24)
InChIKeyYHVWXXWLRGWNEE-UHFFFAOYSA-N
XLogP4.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine (CID 11573395) is 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine is Nc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccccc2)n1.
What is the InChIKey of 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine?
The InChIKey is YHVWXXWLRGWNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24).
What are the key properties of 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine?
6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-diphenylpyrrol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 11573395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).