N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide

C14H13N3O2 — CID 106912144

IUPACN-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C=O)cc2)c(C)nn1
InChIInChI=1S/C14H13N3O2/c1-9-7-13(10(2)17-16-9)14(19)15-12-5-3-11(8-18)4-6-12/h3-8H,1-2H3,(H,15,19)
InChIKeyWKCBGBBMJXPKSB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.16
Rot. Bonds3

About N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 106912144) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID106912144
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C=O)cc2)c(C)nn1
InChIInChI=1S/C14H13N3O2/c1-9-7-13(10(2)17-16-9)14(19)15-12-5-3-11(8-18)4-6-12/h3-8H,1-2H3,(H,15,19)
InChIKeyWKCBGBBMJXPKSB-UHFFFAOYSA-N
XLogP2.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138
N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040
N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669063
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
3-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669874
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
CID 106912375

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 106912144) is N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C=O)cc2)c(C)nn1.
What is the InChIKey of N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is WKCBGBBMJXPKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-7-13(10(2)17-16-9)14(19)15-12-5-3-11(8-18)4-6-12/h3-8H,1-2H3,(H,15,19).
What are the key properties of N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 106912144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).