N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide

C15H15N3O2 — CID 131914083

IUPACN-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)c1ccnnc1
InChIInChI=1S/C15H15N3O2/c1-11(2)10-20-14-6-4-3-5-13(14)18-15(19)12-7-8-16-17-9-12/h3-9H,1,10H2,2H3,(H,18,19)
InChIKeyAAUJCQLTMJFEEQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide

N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide (PubChem CID 131914083) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide
PubChem CID131914083
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)c1ccnnc1
InChIInChI=1S/C15H15N3O2/c1-11(2)10-20-14-6-4-3-5-13(14)18-15(19)12-7-8-16-17-9-12/h3-9H,1,10H2,2H3,(H,18,19)
InChIKeyAAUJCQLTMJFEEQ-UHFFFAOYSA-N
XLogP2.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(2-methoxyphenyl)pyridazine-4-carboxamide
CID 6401431
N-(2-methoxyphenyl)nicotinamide
CID 787042
N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 768286
6-Hexylpyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 460091
6-Isopentyl-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 460092
6-Pentylpyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 460093
6-Hexyl-9-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 460096
8-Methyl-6-pentyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 460099
9-Methyl-6-pentyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 460101
6-Heptyl-9-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 464104
1,5-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-4-carboxamide
CID 17512267
6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 479724

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide (CID 131914083) is N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide is C=C(C)COc1ccccc1NC(=O)c1ccnnc1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide?
The InChIKey is AAUJCQLTMJFEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(2)10-20-14-6-4-3-5-13(14)18-15(19)12-7-8-16-17-9-12/h3-9H,1,10H2,2H3,(H,18,19).
What are the key properties of N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide?
N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131914083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).