4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

C23H17ClN6O2 — CID 70814351

IUPAC4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C23H17ClN6O2/c1-14-26-20(19-9-5-6-12-25-19)29-23(27-14)30-22(32)17-11-10-16(13-18(17)24)28-21(31)15-7-3-2-4-8-15/h2-13H,1H3,(H,28,31)(H,26,27,29,30,32)
InChIKeyAWHBUSLCXFLNOW-UHFFFAOYSA-N
MW444.88 g/mol
LogP4.40
Rot. Bonds5

About 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (PubChem CID 70814351) has the molecular formula C23H17ClN6O2 and a molecular weight of 444.88 g/mol. Its IUPAC name is 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
PubChem CID70814351
Molecular FormulaC23H17ClN6O2
Molecular Weight444.88 g/mol
Exact Mass444.11
IUPAC Name4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C23H17ClN6O2/c1-14-26-20(19-9-5-6-12-25-19)29-23(27-14)30-22(32)17-11-10-16(13-18(17)24)28-21(31)15-7-3-2-4-8-15/h2-13H,1H3,(H,28,31)(H,26,27,29,30,32)
InChIKeyAWHBUSLCXFLNOW-UHFFFAOYSA-N
XLogP4.40
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide with MolForge

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Related Compounds

2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 88993281
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-nitrobenzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-pyridin-2-ylbenzamide
CID 158254129
6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70814398
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-sulfamoylbenzamide
CID 70814294
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 70814424
4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70936560
1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea
CID 88993278
4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 163542852
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide
CID 160704480
2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 70814404
N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide
CID 58849719
2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
CID 70814564

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (CID 70814351) is 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2Cl)nc(-c2ccccn2)n1.
What is the InChIKey of 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The InChIKey is AWHBUSLCXFLNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O2/c1-14-26-20(19-9-5-6-12-25-19)29-23(27-14)30-22(32)17-11-10-16(13-18(17)24)28-21(31)15-7-3-2-4-8-15/h2-13H,1H3,(H,28,31)(H,26,27,29,30,32).
What are the key properties of 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide has a molecular weight of 444.88 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 70814351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).