4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide

C21H14Cl2N6O3 — CID 59135384

IUPAC4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(NC(=O)c4ccc(Cl)cc4Cl)nnc3c2)ccn1
InChIInChI=1S/C21H14Cl2N6O3/c1-24-20(31)18-10-13(6-7-25-18)32-12-3-5-16-17(9-12)28-29-21(26-16)27-19(30)14-4-2-11(22)8-15(14)23/h2-10H,1H3,(H,24,31)(H,26,27,29,30)
InChIKeyWOJACAHJWTYUDF-UHFFFAOYSA-N
MW469.29 g/mol
LogP4.13
Rot. Bonds5

About 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 59135384) has the molecular formula C21H14Cl2N6O3 and a molecular weight of 469.29 g/mol. Its IUPAC name is 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID59135384
Molecular FormulaC21H14Cl2N6O3
Molecular Weight469.29 g/mol
Exact Mass468.05
IUPAC Name4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(NC(=O)c4ccc(Cl)cc4Cl)nnc3c2)ccn1
InChIInChI=1S/C21H14Cl2N6O3/c1-24-20(31)18-10-13(6-7-25-18)32-12-3-5-16-17(9-12)28-29-21(26-16)27-19(30)14-4-2-11(22)8-15(14)23/h2-10H,1H3,(H,24,31)(H,26,27,29,30)
InChIKeyWOJACAHJWTYUDF-UHFFFAOYSA-N
XLogP4.13
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.29
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 58624211
4-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248
4-[[3-[[3-(fluoromethyl)-2-iodobenzoyl]amino]-1,2,4-benzotriazin-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 70931544
N-methyl-4-[[3-[[3-(trifluoromethyl)benzoyl]amino]-1,2,4-benzotriazin-7-yl]oxy]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86604284
4-[[3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59135461
4-[[3-[4-(iodomethyl)-3-(trifluoromethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406247
4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide
CID 68679498
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 59135412
N-methyl-4-[[3-[(3-methylphenyl)sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 70652979
4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254896
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide (CID 59135384) is 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(NC(=O)c4ccc(Cl)cc4Cl)nnc3c2)ccn1.
What is the InChIKey of 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is WOJACAHJWTYUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N6O3/c1-24-20(31)18-10-13(6-7-25-18)32-12-3-5-16-17(9-12)28-29-21(26-16)27-19(30)14-4-2-11(22)8-15(14)23/h2-10H,1H3,(H,24,31)(H,26,27,29,30).
What are the key properties of 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 469.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59135384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).