N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

C24H23FN4O2 — CID 16748529

IUPACN-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C24H23FN4O2/c1-24(2,14-9-10-21(26-13-14)29(3)4)28-23(31)16-12-20-17(11-18(16)25)22(30)15-7-5-6-8-19(15)27-20/h5-13H,1-4H3,(H,27,30)(H,28,31)
InChIKeySQRHVAMQEULLBK-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.95
Rot. Bonds4

About N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748529) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748529
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C24H23FN4O2/c1-24(2,14-9-10-21(26-13-14)29(3)4)28-23(31)16-12-20-17(11-18(16)25)22(30)15-7-5-6-8-19(15)27-20/h5-13H,1-4H3,(H,27,30)(H,28,31)
InChIKeySQRHVAMQEULLBK-UHFFFAOYSA-N
XLogP3.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (CID 16748529) is N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is CN(C)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1.
What is the InChIKey of N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is SQRHVAMQEULLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-24(2,14-9-10-21(26-13-14)29(3)4)28-23(31)16-12-20-17(11-18(16)25)22(30)15-7-5-6-8-19(15)27-20/h5-13H,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).