N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

C23H17F3N6O — CID 91220035

IUPACN-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N(c1cnccn1)c1ncccn1
InChIInChI=1S/C23H17F3N6O/c1-15-6-7-18(31-21(33)16-4-2-5-17(12-16)23(24,25)26)13-19(15)32(20-14-27-10-11-28-20)22-29-8-3-9-30-22/h2-14H,1H3,(H,31,33)
InChIKeyQIRIZQMRJHZKTD-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.32
Rot. Bonds5

About N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 91220035) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID91220035
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC NameN-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N(c1cnccn1)c1ncccn1
InChIInChI=1S/C23H17F3N6O/c1-15-6-7-18(31-21(33)16-4-2-5-17(12-16)23(24,25)26)13-19(15)32(20-14-27-10-11-28-20)22-29-8-3-9-30-22/h2-14H,1H3,(H,31,33)
InChIKeyQIRIZQMRJHZKTD-UHFFFAOYSA-N
XLogP5.32
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
N-[4-methyl-3-[1-methyl-2-oxo-7-(pyrazin-2-ylamino)-4H-pyrido[4,3-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 59711924
4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91345403
4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 90975306
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 90937276
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[pyridin-4-yl(pyrimidin-2-yl)amino]benzamide
CID 174645654
4-cyano-N-[3-[di(pyrimidin-2-yl)amino]-4-methylphenyl]benzamide
CID 91482940
N-[4-methyl-3-[methyl-[3-(methylamino)-1-[6-(methylamino)pyrimidin-4-yl]pyrazol-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 25057284
N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 11569554
2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 42747627

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 91220035) is N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N(c1cnccn1)c1ncccn1.
What is the InChIKey of N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QIRIZQMRJHZKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-15-6-7-18(31-21(33)16-4-2-5-17(12-16)23(24,25)26)13-19(15)32(20-14-27-10-11-28-20)22-29-8-3-9-30-22/h2-14H,1H3,(H,31,33).
What are the key properties of N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 450.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91220035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).