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

C23H20FN3O2 — CID 16748144

IUPAC2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C23H20FN3O2/c1-13-8-9-14(12-25-13)23(2,3)27-22(29)16-11-20-17(10-18(16)24)21(28)15-6-4-5-7-19(15)26-20/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyTXXCVMAHAHUNGI-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.19
Rot. Bonds3

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

2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748144) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748144
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C23H20FN3O2/c1-13-8-9-14(12-25-13)23(2,3)27-22(29)16-11-20-17(10-18(16)24)21(28)15-6-4-5-7-19(15)26-20/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyTXXCVMAHAHUNGI-UHFFFAOYSA-N
XLogP4.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 16748144) is 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is Cc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1.
What is the InChIKey of 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is TXXCVMAHAHUNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-13-8-9-14(12-25-13)23(2,3)27-22(29)16-11-20-17(10-18(16)24)21(28)15-6-4-5-7-19(15)26-20/h4-12H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).