N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide

C24H18FN7O — CID 73331038

IUPACN-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1ncccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C24H18FN7O/c1-14-7-8-15(24(33)31-17-5-2-4-16(25)11-17)10-19(14)32-22-18(6-3-9-26-22)20-21-23(29-12-27-20)30-13-28-21/h2-13H,1H3,(H,26,32)(H,31,33)(H,27,28,29,30)
InChIKeyBJRDHINFCGGDPH-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.86
Rot. Bonds5

About N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide

N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide (PubChem CID 73331038) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
PubChem CID73331038
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC NameN-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1ncccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C24H18FN7O/c1-14-7-8-15(24(33)31-17-5-2-4-16(25)11-17)10-19(14)32-22-18(6-3-9-26-22)20-21-23(29-12-27-20)30-13-28-21/h2-13H,1H3,(H,26,32)(H,31,33)(H,27,28,29,30)
InChIKeyBJRDHINFCGGDPH-UHFFFAOYSA-N
XLogP4.86
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide (CID 73331038) is N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide is Cc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1ncccc1-c1ncnc2nc[nH]c12.
What is the InChIKey of N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide?
The InChIKey is BJRDHINFCGGDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c1-14-7-8-15(24(33)31-17-5-2-4-16(25)11-17)10-19(14)32-22-18(6-3-9-26-22)20-21-23(29-12-27-20)30-13-28-21/h2-13H,1H3,(H,26,32)(H,31,33)(H,27,28,29,30).
What are the key properties of N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide?
N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide has a molecular weight of 439.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 73331038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).