6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

C23H20ClN3 — CID 59341180

IUPAC6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESCc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1
InChIInChI=1S/C23H20ClN3/c1-16-9-11-17(12-10-16)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-18-5-4-8-23(25)26-18/h2-14H,15H2,1H3,(H2,25,26)
InChIKeyOQFLRVKWSMVMPU-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.81
Rot. Bonds4

About 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 59341180) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID59341180
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESCc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1
InChIInChI=1S/C23H20ClN3/c1-16-9-11-17(12-10-16)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-18-5-4-8-23(25)26-18/h2-14H,15H2,1H3,(H2,25,26)
InChIKeyOQFLRVKWSMVMPU-UHFFFAOYSA-N
XLogP5.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (CID 59341180) is 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is Cc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is OQFLRVKWSMVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3/c1-16-9-11-17(12-10-16)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-18-5-4-8-23(25)26-18/h2-14H,15H2,1H3,(H2,25,26).
What are the key properties of 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 373.89 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 59341180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).