4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine

C24H22N4 — CID 12946959

IUPAC4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
SMILESc1cc(CC(c2ccncc2)C(Cc2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C24H22N4/c1-9-25-10-2-19(1)17-23(21-5-13-27-14-6-21)24(22-7-15-28-16-8-22)18-20-3-11-26-12-4-20/h1-16,23-24H,17-18H2
InChIKeyMHASVUOXMQJSNT-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.62
Rot. Bonds7

About 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine

4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine (PubChem CID 12946959) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine.

Molecular Properties

Compound Name4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
PubChem CID12946959
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
SMILESc1cc(CC(c2ccncc2)C(Cc2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C24H22N4/c1-9-25-10-2-19(1)17-23(21-5-13-27-14-6-21)24(22-7-15-28-16-8-22)18-20-3-11-26-12-4-20/h1-16,23-24H,17-18H2
InChIKeyMHASVUOXMQJSNT-UHFFFAOYSA-N
XLogP4.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
4-[(1S,2S)-1,2-dibromo-2-pyridin-4-ylethyl]pyridine
CID 129396706
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
CID 125129263
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine?
The IUPAC name of 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine (CID 12946959) is 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine.
What is the SMILES notation for 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine?
The canonical SMILES for 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine is c1cc(CC(c2ccncc2)C(Cc2ccncc2)c2ccncc2)ccn1.
What is the InChIKey of 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine?
The InChIKey is MHASVUOXMQJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-9-25-10-2-19(1)17-23(21-5-13-27-14-6-21)24(22-7-15-28-16-8-22)18-20-3-11-26-12-4-20/h1-16,23-24H,17-18H2.
What are the key properties of 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine?
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine has a molecular weight of 366.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine is sourced from PubChem (CID 12946959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).