N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide

C14H11N5O2 — CID 86207422

IUPACN-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide
SMILESCn1nnc2ccc(NC(=O)c3ccncc3)cc2c1=O
InChIInChI=1S/C14H11N5O2/c1-19-14(21)11-8-10(2-3-12(11)17-18-19)16-13(20)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,20)
InChIKeyRKOIWRGIXCZPMN-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.98
Rot. Bonds2

About N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide

N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide (PubChem CID 86207422) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide
PubChem CID86207422
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC NameN-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide
SMILESCn1nnc2ccc(NC(=O)c3ccncc3)cc2c1=O
InChIInChI=1S/C14H11N5O2/c1-19-14(21)11-8-10(2-3-12(11)17-18-19)16-13(20)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,20)
InChIKeyRKOIWRGIXCZPMN-UHFFFAOYSA-N
XLogP0.98
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide
CID 75490458
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 110721736
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635330
N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide
CID 68555772
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110471287
N-[3-[(5-bromo-1,3-dimethylpyrazole-4-carbonyl)amino]phenyl]pyridine-4-carboxamide
CID 100743130

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide (CID 86207422) is N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide is Cn1nnc2ccc(NC(=O)c3ccncc3)cc2c1=O.
What is the InChIKey of N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide?
The InChIKey is RKOIWRGIXCZPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-19-14(21)11-8-10(2-3-12(11)17-18-19)16-13(20)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,20).
What are the key properties of N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide?
N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 86207422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).