6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine

C21H17ClN4 — CID 59443749

IUPAC6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3cccnc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C21H17ClN4/c22-18-8-2-1-7-17(18)20-11-10-19(15-5-4-12-24-13-15)26(20)14-16-6-3-9-21(23)25-16/h1-13H,14H2,(H2,23,25)
InChIKeyNDJIKSUPXUUVEG-UHFFFAOYSA-N
MW360.85 g/mol
LogP4.90
Rot. Bonds4

About 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine

6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 59443749) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID59443749
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC Name6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3cccnc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C21H17ClN4/c22-18-8-2-1-7-17(18)20-11-10-19(15-5-4-12-24-13-15)26(20)14-16-6-3-9-21(23)25-16/h1-13H,14H2,(H2,23,25)
InChIKeyNDJIKSUPXUUVEG-UHFFFAOYSA-N
XLogP4.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 54.90
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-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine (CID 59443749) is 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine is Nc1cccc(Cn2c(-c3cccnc3)ccc2-c2ccccc2Cl)n1.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is NDJIKSUPXUUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c22-18-8-2-1-7-17(18)20-11-10-19(15-5-4-12-24-13-15)26(20)14-16-6-3-9-21(23)25-16/h1-13H,14H2,(H2,23,25).
What are the key properties of 6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(2-chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 360.85 g/mol, XLogP of 4.90, 4 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-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 59443749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).