4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine

C18H17N3 — CID 59246459

IUPAC4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine
SMILESCC(C)c1cc(-c2cccnc2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H17N3/c1-13(2)15-10-17(14-6-5-8-19-12-14)21-18(11-15)16-7-3-4-9-20-16/h3-13H,1-2H3
InChIKeyPGHLDPOWKITSDY-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.33
Rot. Bonds3

About 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine

4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine (PubChem CID 59246459) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine
PubChem CID59246459
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine
SMILESCC(C)c1cc(-c2cccnc2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H17N3/c1-13(2)15-10-17(14-6-5-8-19-12-14)21-18(11-15)16-7-3-4-9-20-16/h3-13H,1-2H3
InChIKeyPGHLDPOWKITSDY-UHFFFAOYSA-N
XLogP4.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine?
The IUPAC name of 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine (CID 59246459) is 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine.
What is the SMILES notation for 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine?
The canonical SMILES for 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine is CC(C)c1cc(-c2cccnc2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine?
The InChIKey is PGHLDPOWKITSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-13(2)15-10-17(14-6-5-8-19-12-14)21-18(11-15)16-7-3-4-9-20-16/h3-13H,1-2H3.
What are the key properties of 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine?
4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine has a molecular weight of 275.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine is sourced from PubChem (CID 59246459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).