4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine

C22H25N3 — CID 20687157

IUPAC4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine
SMILESCN1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1
InChIInChI=1S/C22H25N3/c1-24-14-10-18(11-15-24)21-16-20(17-8-12-23-13-9-17)22(25(21)2)19-6-4-3-5-7-19/h3-9,12-13,16,18H,10-11,14-15H2,1-2H3
InChIKeyKISDQHLZINRUDU-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.56
Rot. Bonds3

About 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine

4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine (PubChem CID 20687157) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine
PubChem CID20687157
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine
SMILESCN1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1
InChIInChI=1S/C22H25N3/c1-24-14-10-18(11-15-24)21-16-20(17-8-12-23-13-9-17)22(25(21)2)19-6-4-3-5-7-19/h3-9,12-13,16,18H,10-11,14-15H2,1-2H3
InChIKeyKISDQHLZINRUDU-UHFFFAOYSA-N
XLogP4.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine?
The IUPAC name of 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine (CID 20687157) is 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine?
The canonical SMILES for 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine is CN1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1.
What is the InChIKey of 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine?
The InChIKey is KISDQHLZINRUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-24-14-10-18(11-15-24)21-16-20(17-8-12-23-13-9-17)22(25(21)2)19-6-4-3-5-7-19/h3-9,12-13,16,18H,10-11,14-15H2,1-2H3.
What are the key properties of 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine?
4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine has a molecular weight of 331.46 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine is sourced from PubChem (CID 20687157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).