6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide

C16H16N4O3 — CID 110742184

IUPAC6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21
InChIInChI=1S/C16H16N4O3/c1-16(2)10-8-9(4-6-12(10)20(3)15(16)23)17-14(22)11-5-7-13(21)19-18-11/h4-8H,1-3H3,(H,17,22)(H,19,21)
InChIKeyFOGLJWQGHIDDAW-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.28
Rot. Bonds2

About 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide

6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide (PubChem CID 110742184) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide
PubChem CID110742184
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21
InChIInChI=1S/C16H16N4O3/c1-16(2)10-8-9(4-6-12(10)20(3)15(16)23)17-14(22)11-5-7-13(21)19-18-11/h4-8H,1-3H3,(H,17,22)(H,19,21)
InChIKeyFOGLJWQGHIDDAW-UHFFFAOYSA-N
XLogP1.28
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110793066
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide
CID 98033831
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51101816
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072
N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47416715

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide (CID 110742184) is 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide is CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21.
What is the InChIKey of 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide?
The InChIKey is FOGLJWQGHIDDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-16(2)10-8-9(4-6-12(10)20(3)15(16)23)17-14(22)11-5-7-13(21)19-18-11/h4-8H,1-3H3,(H,17,22)(H,19,21).
What are the key properties of 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).