2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine

C25H30N2 — CID 134331871

IUPAC2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine
SMILESCC(C)c1cccc(CC(C)c2cccc(CC(C)c3cccnc3)n2)c1
InChIInChI=1S/C25H30N2/c1-18(2)22-9-5-8-21(16-22)14-20(4)25-12-6-11-24(27-25)15-19(3)23-10-7-13-26-17-23/h5-13,16-20H,14-15H2,1-4H3
InChIKeyLWIRGOUTCKHMIW-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.29
Rot. Bonds7

About 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine

2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine (PubChem CID 134331871) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine.

Molecular Properties

Compound Name2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine
PubChem CID134331871
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine
SMILESCC(C)c1cccc(CC(C)c2cccc(CC(C)c3cccnc3)n2)c1
InChIInChI=1S/C25H30N2/c1-18(2)22-9-5-8-21(16-22)14-20(4)25-12-6-11-24(27-25)15-19(3)23-10-7-13-26-17-23/h5-13,16-20H,14-15H2,1-4H3
InChIKeyLWIRGOUTCKHMIW-UHFFFAOYSA-N
XLogP6.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine
CID 167051915
2-methyl-6-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine
CID 158328245
2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
CID 139662203
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine
CID 58106766
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
(3-propan-2-ylphenyl)methanamine
CID 21085835
2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine
CID 155076697
1-propan-2-yl-3-[(2S)-2-[3-[2-[4-(trifluoromethyl)phenyl]propyl]phenyl]propyl]benzene
CID 178057958
14-propan-2-yl-21-(2-pyridin-3-ylpropyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene
CID 134516987
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
The IUPAC name of 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine (CID 134331871) is 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine.
What is the SMILES notation for 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
The canonical SMILES for 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine is CC(C)c1cccc(CC(C)c2cccc(CC(C)c3cccnc3)n2)c1.
What is the InChIKey of 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
The InChIKey is LWIRGOUTCKHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-18(2)22-9-5-8-21(16-22)14-20(4)25-12-6-11-24(27-25)15-19(3)23-10-7-13-26-17-23/h5-13,16-20H,14-15H2,1-4H3.
What are the key properties of 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine has a molecular weight of 358.53 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-propan-2-ylphenyl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine is sourced from PubChem (CID 134331871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).