N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide

C22H21N7O4 — CID 23536239

IUPACN-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide
SMILESCOc1cc(Nc2ncnc(-n3ccc(NC(=O)c4ccccc4)n3)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N7O4/c1-31-16-11-15(12-17(32-2)19(16)33-3)25-21-23-13-24-22(27-21)29-10-9-18(28-29)26-20(30)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,26,28,30)(H,23,24,25,27)
InChIKeyOQTPVIJRZIABOR-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.08
Rot. Bonds8

About N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide

N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide (PubChem CID 23536239) has the molecular formula C22H21N7O4 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide
PubChem CID23536239
Molecular FormulaC22H21N7O4
Molecular Weight447.46 g/mol
Exact Mass447.17
IUPAC NameN-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide
SMILESCOc1cc(Nc2ncnc(-n3ccc(NC(=O)c4ccccc4)n3)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N7O4/c1-31-16-11-15(12-17(32-2)19(16)33-3)25-21-23-13-24-22(27-21)29-10-9-18(28-29)26-20(30)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,26,28,30)(H,23,24,25,27)
InChIKeyOQTPVIJRZIABOR-UHFFFAOYSA-N
XLogP3.08
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide with MolForge

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Related Compounds

3-[[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]benzoic acid
CID 23535788
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
3-[[4-(3-hydroxy-4,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 142056685
4-(2-chloroimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22560087
4-(3-chloroindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535996
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555
N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 71812787
4-N-[1-(phosphanylmethyl)indol-5-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 142056646
3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide
CID 55537143
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide (CID 23536239) is N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide is COc1cc(Nc2ncnc(-n3ccc(NC(=O)c4ccccc4)n3)n2)cc(OC)c1OC.
What is the InChIKey of N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide?
The InChIKey is OQTPVIJRZIABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O4/c1-31-16-11-15(12-17(32-2)19(16)33-3)25-21-23-13-24-22(27-21)29-10-9-18(28-29)26-20(30)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,26,28,30)(H,23,24,25,27).
What are the key properties of N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide?
N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 23536239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).