N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

C25H24N4O2 — CID 68558236

IUPACN-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccc(N2CCC2)nc1
InChIInChI=1S/C25H24N4O2/c1-25(2,17-9-11-22(26-15-17)29-12-5-13-29)28-24(31)16-8-10-19-21(14-16)27-20-7-4-3-6-18(20)23(19)30/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIILXPQWNWUHQAN-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.95
Rot. Bonds4

About N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 68558236) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID68558236
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccc(N2CCC2)nc1
InChIInChI=1S/C25H24N4O2/c1-25(2,17-9-11-22(26-15-17)29-12-5-13-29)28-24(31)16-8-10-19-21(14-16)27-20-7-4-3-6-18(20)23(19)30/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIILXPQWNWUHQAN-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 ≤ 500412.49
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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Launch Full Analysis

Related Compounds

N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 136530958
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558251
2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558086
N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 16748745
N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 59019210
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
3-methyl-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 38529623
3-methyl-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 30268622
2-fluoro-N-[2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68560319
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
N-[2-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide;6-isocyano-3-methylidene-1,2-dihydroindene
CID 161262985

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 68558236) is N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccc(N2CCC2)nc1.
What is the InChIKey of N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is IILXPQWNWUHQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-25(2,17-9-11-22(26-15-17)29-12-5-13-29)28-24(31)16-8-10-19-21(14-16)27-20-7-4-3-6-18(20)23(19)30/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 412.49 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-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 68558236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).