N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

C24H23FN4O2 — CID 16748145

IUPACN-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)c1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)ccn1
InChIInChI=1S/C24H23FN4O2/c1-24(2,14-9-10-26-21(11-14)29(3)4)28-23(31)16-13-20-17(12-18(16)25)22(30)15-7-5-6-8-19(15)27-20/h5-13H,1-4H3,(H,27,30)(H,28,31)
InChIKeyPOCOAJDFDGQKSH-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.95
Rot. Bonds4

About N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748145) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748145
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)c1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)ccn1
InChIInChI=1S/C24H23FN4O2/c1-24(2,14-9-10-26-21(11-14)29(3)4)28-23(31)16-13-20-17(12-18(16)25)22(30)15-7-5-6-8-19(15)27-20/h5-13H,1-4H3,(H,27,30)(H,28,31)
InChIKeyPOCOAJDFDGQKSH-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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Related Compounds

N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022
9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525
9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748637
Bms-566419
CID 9913339
2-fluoro-N-[2-(6-methylpyridin-3-yl)propan-2-yl]-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748144
2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748745
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
1-methyl-4-oxo-N-pyridin-2-yl-1,4-dihydroquinoline-3-carboxamide
CID 5297270

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (CID 16748145) is N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is CN(C)c1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)ccn1.
What is the InChIKey of N-[2-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is POCOAJDFDGQKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-24(2,14-9-10-26-21(11-14)29(3)4)28-23(31)16-13-20-17(12-18(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-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
N-[2-[2-(dimethylamino)-4-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-[2-(dimethylamino)-4-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).