N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide

C22H18N6O3 — CID 58624211

IUPACN-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nnc(NC(=O)c4ccc(C)cc4)nc3c2)ccn1
InChIInChI=1S/C22H18N6O3/c1-13-3-5-14(6-4-13)20(29)26-22-25-18-11-15(7-8-17(18)27-28-22)31-16-9-10-24-19(12-16)21(30)23-2/h3-12H,1-2H3,(H,23,30)(H,25,26,28,29)
InChIKeyQCPLNJIOZGODSI-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 58624211) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
PubChem CID58624211
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nnc(NC(=O)c4ccc(C)cc4)nc3c2)ccn1
InChIInChI=1S/C22H18N6O3/c1-13-3-5-14(6-4-13)20(29)26-22-25-18-11-15(7-8-17(18)27-28-22)31-16-9-10-24-19(12-16)21(30)23-2/h3-12H,1-2H3,(H,23,30)(H,25,26,28,29)
InChIKeyQCPLNJIOZGODSI-UHFFFAOYSA-N
XLogP3.13
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59135384
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-methyl-4-[[3-[(3-methylphenyl)sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 70652979
4-[[3-[[3-(fluoromethyl)-2-iodobenzoyl]amino]-1,2,4-benzotriazin-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 70931544
4-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248
N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 59135412
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[[3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59135461
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
CID 22040960
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide (CID 58624211) is N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nnc(NC(=O)c4ccc(C)cc4)nc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
The InChIKey is QCPLNJIOZGODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-13-3-5-14(6-4-13)20(29)26-22-25-18-11-15(7-8-17(18)27-28-22)31-16-9-10-24-19(12-16)21(30)23-2/h3-12H,1-2H3,(H,23,30)(H,25,26,28,29).
What are the key properties of N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 58624211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).