3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide

C24H24F3N5O3 — CID 25071287

IUPAC3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3/c1-28-22(33)15-7-5-6-8-17(15)30-19-12-21(29-13-16(19)24(25,26)27)31-18-10-9-14(11-20(18)35-4)23(34)32(2)3/h5-13H,1-4H3,(H,28,33)(H2,29,30,31)
InChIKeyNRVJPEGWUCNIIF-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.66
Rot. Bonds7

About 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide

3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide (PubChem CID 25071287) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
PubChem CID25071287
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3/c1-28-22(33)15-7-5-6-8-17(15)30-19-12-21(29-13-16(19)24(25,26)27)31-18-10-9-14(11-20(18)35-4)23(34)32(2)3/h5-13H,1-4H3,(H,28,33)(H2,29,30,31)
InChIKeyNRVJPEGWUCNIIF-UHFFFAOYSA-N
XLogP4.66
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
4-amino-N,N,3-trimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)
CID 159615965
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
CID 89162964
5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone
CID 157103226
2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67076041
2-[[2-[(3-cyano-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67075702
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 117076920
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(5-piperidin-1-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159091216

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
The IUPAC name of 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide (CID 25071287) is 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
The canonical SMILES for 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1C(F)(F)F.
What is the InChIKey of 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
The InChIKey is NRVJPEGWUCNIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-28-22(33)15-7-5-6-8-17(15)30-19-12-21(29-13-16(19)24(25,26)27)31-18-10-9-14(11-20(18)35-4)23(34)32(2)3/h5-13H,1-4H3,(H,28,33)(H2,29,30,31).
What are the key properties of 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide has a molecular weight of 487.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 25071287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).