5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C22H19F4N5O2 — CID 58154989

IUPAC5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1cc(F)ccc1Nc1cc(Nc2ccc(CC(C)=O)cn2)ncc1C(F)(F)F
InChIInChI=1S/C22H19F4N5O2/c1-12(32)7-13-3-6-19(28-10-13)31-20-9-18(16(11-29-20)22(24,25)26)30-17-5-4-14(23)8-15(17)21(33)27-2/h3-6,8-11H,7H2,1-2H3,(H,27,33)(H2,28,29,30,31)
InChIKeyXJGUKOZRERTKFJ-UHFFFAOYSA-N
MW461.42 g/mol
LogP4.61
Rot. Bonds7

About 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 58154989) has the molecular formula C22H19F4N5O2 and a molecular weight of 461.42 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID58154989
Molecular FormulaC22H19F4N5O2
Molecular Weight461.42 g/mol
Exact Mass461.15
IUPAC Name5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1cc(F)ccc1Nc1cc(Nc2ccc(CC(C)=O)cn2)ncc1C(F)(F)F
InChIInChI=1S/C22H19F4N5O2/c1-12(32)7-13-3-6-19(28-10-13)31-20-9-18(16(11-29-20)22(24,25)26)30-17-5-4-14(23)8-15(17)21(33)27-2/h3-6,8-11H,7H2,1-2H3,(H,27,33)(H2,28,29,30,31)
InChIKeyXJGUKOZRERTKFJ-UHFFFAOYSA-N
XLogP4.61
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

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Related Compounds

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CID 107867
Pirenzepine
CID 4848
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
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N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
N-[2-(azetidine-1-carbonyl)-5-fluorophenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548219
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 58154989) is 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1cc(F)ccc1Nc1cc(Nc2ccc(CC(C)=O)cn2)ncc1C(F)(F)F.
What is the InChIKey of 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is XJGUKOZRERTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O2/c1-12(32)7-13-3-6-19(28-10-13)31-20-9-18(16(11-29-20)22(24,25)26)30-17-5-4-14(23)8-15(17)21(33)27-2/h3-6,8-11H,7H2,1-2H3,(H,27,33)(H2,28,29,30,31).
What are the key properties of 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 461.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-[[2-[[5-(2-oxopropyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 58154989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).