3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one

C30H34N4O2 — CID 122397992

IUPAC3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one
SMILESCCCCCc1cc(-c2cc(CCCCC)cc(-c3c[nH]ccc3=O)n2)nc(-c2c[nH]ccc2=O)c1
InChIInChI=1S/C30H34N4O2/c1-3-5-7-9-21-15-25(23-19-31-13-11-29(23)35)33-27(17-21)28-18-22(10-8-6-4-2)16-26(34-28)24-20-32-14-12-30(24)36/h11-20H,3-10H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyHHMFQYAPNZNQAT-UHFFFAOYSA-N
MW482.63 g/mol
LogP6.32
Rot. Bonds11

About 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one

3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one (PubChem CID 122397992) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one
PubChem CID122397992
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one
SMILESCCCCCc1cc(-c2cc(CCCCC)cc(-c3c[nH]ccc3=O)n2)nc(-c2c[nH]ccc2=O)c1
InChIInChI=1S/C30H34N4O2/c1-3-5-7-9-21-15-25(23-19-31-13-11-29(23)35)33-27(17-21)28-18-22(10-8-6-4-2)16-26(34-28)24-20-32-14-12-30(24)36/h11-20H,3-10H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyHHMFQYAPNZNQAT-UHFFFAOYSA-N
XLogP6.32
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pentyl-1H-pyrrole
CID 15599581
3-octadecyl-1H-pyrrole
CID 14890918
3-pentyl-1H-pyridazin-4-one
CID 70434248
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
3-propyl-1H-pyridin-4-one
CID 146175162
3-[5-[3-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-4-one
CID 136812823
2,7-dipentylpyrene
CID 174968466
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one?
The IUPAC name of 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one (CID 122397992) is 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one is CCCCCc1cc(-c2cc(CCCCC)cc(-c3c[nH]ccc3=O)n2)nc(-c2c[nH]ccc2=O)c1.
What is the InChIKey of 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one?
The InChIKey is HHMFQYAPNZNQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-3-5-7-9-21-15-25(23-19-31-13-11-29(23)35)33-27(17-21)28-18-22(10-8-6-4-2)16-26(34-28)24-20-32-14-12-30(24)36/h11-20H,3-10H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one?
3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one has a molecular weight of 482.63 g/mol, XLogP of 6.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(4-oxo-1H-pyridin-3-yl)-4-pentyl-2-pyridinyl]-4-pentyl-2-pyridinyl]-1H-pyridin-4-one is sourced from PubChem (CID 122397992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).