2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

C23H22F3N5O2 — CID 25071599

IUPAC2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2)ncc1C(F)(F)F
InChIInChI=1S/C23H22F3N5O2/c1-27-21(32)16-6-4-5-7-18(16)30-19-12-20(28-13-17(19)23(24,25)26)29-15-10-8-14(9-11-15)22(33)31(2)3/h4-13H,1-3H3,(H,27,32)(H2,28,29,30)
InChIKeyHUDDQUVHBFKQLZ-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.65
Rot. Bonds6

About 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 25071599) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID25071599
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2)ncc1C(F)(F)F
InChIInChI=1S/C23H22F3N5O2/c1-27-21(32)16-6-4-5-7-18(16)30-19-12-20(28-13-17(19)23(24,25)26)29-15-10-8-14(9-11-15)22(33)31(2)3/h4-13H,1-3H3,(H,27,32)(H2,28,29,30)
InChIKeyHUDDQUVHBFKQLZ-UHFFFAOYSA-N
XLogP4.65
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (CID 25071599) is 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is HUDDQUVHBFKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-27-21(32)16-6-4-5-7-18(16)30-19-12-20(28-13-17(19)23(24,25)26)29-15-10-8-14(9-11-15)22(33)31(2)3/h4-13H,1-3H3,(H,27,32)(H2,28,29,30).
What are the key properties of 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 457.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(dimethylcarbamoyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 25071599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).