6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide

C13H14N4O2 — CID 115669027

IUPAC6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccc(O)cc2)nn1
InChIInChI=1S/C13H14N4O2/c1-14-13(19)11-6-7-12(17-16-11)15-8-9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3,(H,14,19)(H,15,17)
InChIKeyZHNIAZTYFOZQRD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.15
Rot. Bonds4

About 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide

6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 115669027) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID115669027
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccc(O)cc2)nn1
InChIInChI=1S/C13H14N4O2/c1-14-13(19)11-6-7-12(17-16-11)15-8-9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3,(H,14,19)(H,15,17)
InChIKeyZHNIAZTYFOZQRD-UHFFFAOYSA-N
XLogP1.15
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
N-methyl-6-[(4-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133343379
N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
CID 133397231
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133342969
N-methyl-6-(naphthalen-2-ylmethylamino)pyridazine-3-carboxamide
CID 133328883
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
CID 106898486
6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133329611
N-methyl-6-[(1-methylpyrazol-3-yl)methylamino]pyridazine-3-carboxamide
CID 82874153
N-methyl-6-(naphthalen-1-ylmethylamino)pyridazine-3-carboxamide
CID 133329112
N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79208438
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide (CID 115669027) is 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCc2ccc(O)cc2)nn1.
What is the InChIKey of 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is ZHNIAZTYFOZQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-14-13(19)11-6-7-12(17-16-11)15-8-9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3,(H,14,19)(H,15,17).
What are the key properties of 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide?
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 115669027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).