3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione

C23H22N2O4 — CID 86186012

IUPAC3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
SMILESCOc1ccc(OC)c(C(CC(=O)c2ccccn2)CC(=O)c2ccccn2)c1
InChIInChI=1S/C23H22N2O4/c1-28-17-9-10-23(29-2)18(15-17)16(13-21(26)19-7-3-5-11-24-19)14-22(27)20-8-4-6-12-25-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyPLJNTQDTCWSAKM-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.12
Rot. Bonds9

About 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione

3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione (PubChem CID 86186012) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
PubChem CID86186012
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
SMILESCOc1ccc(OC)c(C(CC(=O)c2ccccn2)CC(=O)c2ccccn2)c1
InChIInChI=1S/C23H22N2O4/c1-28-17-9-10-23(29-2)18(15-17)16(13-21(26)19-7-3-5-11-24-19)14-22(27)20-8-4-6-12-25-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyPLJNTQDTCWSAKM-UHFFFAOYSA-N
XLogP4.12
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185238
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
1-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921510
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine
CID 57042062
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione (CID 86186012) is 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione is COc1ccc(OC)c(C(CC(=O)c2ccccn2)CC(=O)c2ccccn2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
The InChIKey is PLJNTQDTCWSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-17-9-10-23(29-2)18(15-17)16(13-21(26)19-7-3-5-11-24-19)14-22(27)20-8-4-6-12-25-20/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione has a molecular weight of 390.44 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione is sourced from PubChem (CID 86186012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).