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

C23H20ClN3O — CID 11574638

IUPAC6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1
InChIInChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26)
InChIKeyYCLYXZNWHAWIQN-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.51
Rot. Bonds5

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

6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 11574638) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID11574638
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1
InChIInChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26)
InChIKeyYCLYXZNWHAWIQN-UHFFFAOYSA-N
XLogP5.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (CID 11574638) is 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is COc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is YCLYXZNWHAWIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26).
What are the key properties of 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 389.89 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 11574638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).