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

C21H15ClN6O3 — CID 68679498

IUPAC4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Oc1ccc2nc(NC(=O)c3cccc(Cl)c3)nnc2c1
InChIInChI=1S/C21H15ClN6O3/c1-23-20(30)15-11-24-8-7-18(15)31-14-5-6-16-17(10-14)27-28-21(25-16)26-19(29)12-3-2-4-13(22)9-12/h2-11H,1H3,(H,23,30)(H,25,26,28,29)
InChIKeyUNDKCMVYDDAUPY-UHFFFAOYSA-N
MW434.84 g/mol
LogP3.48
Rot. Bonds5

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

4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide (PubChem CID 68679498) has the molecular formula C21H15ClN6O3 and a molecular weight of 434.84 g/mol. Its IUPAC name is 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide
PubChem CID68679498
Molecular FormulaC21H15ClN6O3
Molecular Weight434.84 g/mol
Exact Mass434.09
IUPAC Name4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Oc1ccc2nc(NC(=O)c3cccc(Cl)c3)nnc2c1
InChIInChI=1S/C21H15ClN6O3/c1-23-20(30)15-11-24-8-7-18(15)31-14-5-6-16-17(10-14)27-28-21(25-16)26-19(29)12-3-2-4-13(22)9-12/h2-11H,1H3,(H,23,30)(H,25,26,28,29)
InChIKeyUNDKCMVYDDAUPY-UHFFFAOYSA-N
XLogP3.48
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[3-[[4-(trifluoromethoxy)benzoyl]amino]-1,2,4-benzotriazin-7-yl]oxy]pyridine-3-carboxylic acid
CID 140502372
4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59135384
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
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
N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide
CID 59135428
N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 58624211
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
CID 55835370

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide (CID 68679498) is 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Oc1ccc2nc(NC(=O)c3cccc(Cl)c3)nnc2c1.
What is the InChIKey of 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide?
The InChIKey is UNDKCMVYDDAUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6O3/c1-23-20(30)15-11-24-8-7-18(15)31-14-5-6-16-17(10-14)27-28-21(25-16)26-19(29)12-3-2-4-13(22)9-12/h2-11H,1H3,(H,23,30)(H,25,26,28,29).
What are the key properties of 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide?
4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide has a molecular weight of 434.84 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3-chlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 68679498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).