2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine

C23H30N2 — CID 139069209

IUPAC2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine
SMILESCc1cccc(C(=C=C(c2cccc(C)n2)C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C23H30N2/c1-16-11-9-13-20(24-16)18(22(3,4)5)15-19(23(6,7)8)21-14-10-12-17(2)25-21/h9-14H,1-8H3
InChIKeyDFOKEUMFEZORSU-UHFFFAOYSA-N
MW334.51 g/mol
LogP6.25
Rot. Bonds2

About 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine

2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine (PubChem CID 139069209) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine
PubChem CID139069209
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine
SMILESCc1cccc(C(=C=C(c2cccc(C)n2)C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C23H30N2/c1-16-11-9-13-20(24-16)18(22(3,4)5)15-19(23(6,7)8)21-14-10-12-17(2)25-21/h9-14H,1-8H3
InChIKeyDFOKEUMFEZORSU-UHFFFAOYSA-N
XLogP6.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine?
The IUPAC name of 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine (CID 139069209) is 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine?
The canonical SMILES for 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine is Cc1cccc(C(=C=C(c2cccc(C)n2)C(C)(C)C)C(C)(C)C)n1.
What is the InChIKey of 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine?
The InChIKey is DFOKEUMFEZORSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-16-11-9-13-20(24-16)18(22(3,4)5)15-19(23(6,7)8)21-14-10-12-17(2)25-21/h9-14H,1-8H3.
What are the key properties of 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine?
2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine has a molecular weight of 334.51 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2,2,6,6-tetramethyl-5-(6-methyl-2-pyridinyl)hepta-3,4-dien-3-yl]pyridine is sourced from PubChem (CID 139069209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).