1-propyl-4-(1-propyl-4-pyridinylidene)pyridine

C16H22N2 — CID 163360606

IUPAC1-propyl-4-(1-propyl-4-pyridinylidene)pyridine
SMILESCCCN1C=CC(=C2C=CN(CCC)C=C2)C=C1
InChIInChI=1S/C16H22N2/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyRUJWTPCWTVNAKZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.79
Rot. Bonds4

About 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine

1-propyl-4-(1-propyl-4-pyridinylidene)pyridine (PubChem CID 163360606) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine.

Molecular Properties

Compound Name1-propyl-4-(1-propyl-4-pyridinylidene)pyridine
PubChem CID163360606
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-propyl-4-(1-propyl-4-pyridinylidene)pyridine
SMILESCCCN1C=CC(=C2C=CN(CCC)C=C2)C=C1
InChIInChI=1S/C16H22N2/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyRUJWTPCWTVNAKZ-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine?
The IUPAC name of 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine (CID 163360606) is 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine.
What is the SMILES notation for 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine?
The canonical SMILES for 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine is CCCN1C=CC(=C2C=CN(CCC)C=C2)C=C1.
What is the InChIKey of 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine?
The InChIKey is RUJWTPCWTVNAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine?
1-propyl-4-(1-propyl-4-pyridinylidene)pyridine has a molecular weight of 242.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(1-propyl-4-pyridinylidene)pyridine is sourced from PubChem (CID 163360606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).