N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide

C14H15N3O2 — CID 104671138

IUPACN-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CO)cc2)c(C)nn1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(10(2)17-16-9)14(19)15-12-5-3-11(8-18)4-6-12/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyDXICCBPXZIXYKM-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.84
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide

N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104671138) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104671138
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CO)cc2)c(C)nn1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(10(2)17-16-9)14(19)15-12-5-3-11(8-18)4-6-12/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyDXICCBPXZIXYKM-UHFFFAOYSA-N
XLogP1.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 106912144
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-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
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
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104671138) is N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(CO)cc2)c(C)nn1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is DXICCBPXZIXYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-13(10(2)17-16-9)14(19)15-12-5-3-11(8-18)4-6-12/h3-7,18H,8H2,1-2H3,(H,15,19).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104671138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).