9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C19H15Cl2N3O — CID 46256306

IUPAC9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C19H15Cl2N3O/c20-17-12-4-1-2-5-14(12)23-16-10-11(7-8-13(16)17)19(25)24-15-6-3-9-22-18(15)21/h3,6-10H,1-2,4-5H2,(H,24,25)
InChIKeyOHUWJCDUTQUVAD-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.07
Rot. Bonds2

About 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 46256306) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID46256306
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C19H15Cl2N3O/c20-17-12-4-1-2-5-14(12)23-16-10-11(7-8-13(16)17)19(25)24-15-6-3-9-22-18(15)21/h3,6-10H,1-2,4-5H2,(H,24,25)
InChIKeyOHUWJCDUTQUVAD-UHFFFAOYSA-N
XLogP5.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
9-chloro-N-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866074
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256250
9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503395
N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 12004933
9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257991
9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703
N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256249
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
9-chloro-N-(3-cyanophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257992
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 126457296

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 46256306) is 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is O=C(Nc1cccnc1Cl)c1ccc2c(Cl)c3c(nc2c1)CCCC3.
What is the InChIKey of 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is OHUWJCDUTQUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-17-12-4-1-2-5-14(12)23-16-10-11(7-8-13(16)17)19(25)24-15-6-3-9-22-18(15)21/h3,6-10H,1-2,4-5H2,(H,24,25).
What are the key properties of 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 46256306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).