1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide

C26H23N5O2 — CID 164940241

IUPAC1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESNC(=O)c1ccc2nc3c(cc2c1[C@@H](CC=O)c1ccc(-c2ccnnc2)nc1)CCCC3
InChIInChI=1S/C26H23N5O2/c27-26(33)20-6-8-24-21(13-16-3-1-2-4-23(16)31-24)25(20)19(10-12-32)17-5-7-22(28-14-17)18-9-11-29-30-15-18/h5-9,11-15,19H,1-4,10H2,(H2,27,33)/t19-/m0/s1
InChIKeyGGHGWHXLWBVRFD-IBGZPJMESA-N
MW437.50 g/mol
LogP3.79
Rot. Bonds6

About 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide

1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide (PubChem CID 164940241) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide.

Molecular Properties

Compound Name1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
PubChem CID164940241
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESNC(=O)c1ccc2nc3c(cc2c1[C@@H](CC=O)c1ccc(-c2ccnnc2)nc1)CCCC3
InChIInChI=1S/C26H23N5O2/c27-26(33)20-6-8-24-21(13-16-3-1-2-4-23(16)31-24)25(20)19(10-12-32)17-5-7-22(28-14-17)18-9-11-29-30-15-18/h5-9,11-15,19H,1-4,10H2,(H2,27,33)/t19-/m0/s1
InChIKeyGGHGWHXLWBVRFD-IBGZPJMESA-N
XLogP3.79
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide with MolForge

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Related Compounds

1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 164940233
2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline
CID 161432629
5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155319967
7-(dichloromethyl)-1,2,3,4-tetrahydroacridine
CID 150632643
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678
4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
CID 81065817
2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
CID 83833341
3-pyridin-2-yl-5,6,7,8-tetrahydroquinoline
CID 10536433
2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 115319387
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone
CID 1333149
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
The IUPAC name of 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide (CID 164940241) is 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide.
What is the SMILES notation for 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
The canonical SMILES for 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide is NC(=O)c1ccc2nc3c(cc2c1[C@@H](CC=O)c1ccc(-c2ccnnc2)nc1)CCCC3.
What is the InChIKey of 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
The InChIKey is GGHGWHXLWBVRFD-IBGZPJMESA-N. The full InChI is InChI=1S/C26H23N5O2/c27-26(33)20-6-8-24-21(13-16-3-1-2-4-23(16)31-24)25(20)19(10-12-32)17-5-7-22(28-14-17)18-9-11-29-30-15-18/h5-9,11-15,19H,1-4,10H2,(H2,27,33)/t19-/m0/s1.
What are the key properties of 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide is sourced from PubChem (CID 164940241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).