10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C23H29N3O3 — CID 171406139

IUPAC10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN(C)CCCN1C2=C(C(=O)CCC2)C(c2ccc[nH]c2=O)C2=C1CCCC2=O
InChIInChI=1S/C23H29N3O3/c1-25(2)13-6-14-26-16-8-3-10-18(27)21(16)20(15-7-5-12-24-23(15)29)22-17(26)9-4-11-19(22)28/h5,7,12,20H,3-4,6,8-11,13-14H2,1-2H3,(H,24,29)
InChIKeyCOGAZHHGJVKWAE-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.74
Rot. Bonds5

About 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 171406139) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID171406139
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN(C)CCCN1C2=C(C(=O)CCC2)C(c2ccc[nH]c2=O)C2=C1CCCC2=O
InChIInChI=1S/C23H29N3O3/c1-25(2)13-6-14-26-16-8-3-10-18(27)21(16)20(15-7-5-12-24-23(15)29)22-17(26)9-4-11-19(22)28/h5,7,12,20H,3-4,6,8-11,13-14H2,1-2H3,(H,24,29)
InChIKeyCOGAZHHGJVKWAE-UHFFFAOYSA-N
XLogP2.74
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 171406139) is 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CN(C)CCCN1C2=C(C(=O)CCC2)C(c2ccc[nH]c2=O)C2=C1CCCC2=O.
What is the InChIKey of 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is COGAZHHGJVKWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(2)13-6-14-26-16-8-3-10-18(27)21(16)20(15-7-5-12-24-23(15)29)22-17(26)9-4-11-19(22)28/h5,7,12,20H,3-4,6,8-11,13-14H2,1-2H3,(H,24,29).
What are the key properties of 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 395.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 171406139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).