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

C14H13F3N4O — CID 141455583

IUPAC2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(N)ncc1C(F)(F)F
InChIInChI=1S/C14H13F3N4O/c1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(18)20-7-9(11)14(15,16)17/h2-7H,1H3,(H,19,22)(H3,18,20,21)
InChIKeyUTCXCLWOOJOAFK-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.79
Rot. Bonds3

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

2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 141455583) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID141455583
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(N)ncc1C(F)(F)F
InChIInChI=1S/C14H13F3N4O/c1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(18)20-7-9(11)14(15,16)17/h2-7H,1H3,(H,19,22)(H3,18,20,21)
InChIKeyUTCXCLWOOJOAFK-UHFFFAOYSA-N
XLogP2.79
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
CID 157235212
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
6-amino-N-methyl-4-(2-methylanilino)pyridine-3-carboxamide
CID 122579392
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 25071287
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
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-4-carboxamide
CID 58155043
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide
CID 58155019
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (CID 141455583) is 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(N)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is UTCXCLWOOJOAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(18)20-7-9(11)14(15,16)17/h2-7H,1H3,(H,19,22)(H3,18,20,21).
What are the key properties of 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 310.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 141455583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).