N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide

C14H15N3O2 — CID 104670806

IUPACN-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccc(O)cc2)c(C)nn1
InChIInChI=1S/C14H15N3O2/c1-9-8-13(10(2)16-15-9)14(19)17(3)11-4-6-12(18)7-5-11/h4-8,18H,1-3H3
InChIKeyMKVAXZNBBSCLLJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.08
Rot. Bonds2

About N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide

N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide (PubChem CID 104670806) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide
PubChem CID104670806
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccc(O)cc2)c(C)nn1
InChIInChI=1S/C14H15N3O2/c1-9-8-13(10(2)16-15-9)14(19)17(3)11-4-6-12(18)7-5-11/h4-8,18H,1-3H3
InChIKeyMKVAXZNBBSCLLJ-UHFFFAOYSA-N
XLogP2.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide
CID 53016703
N-(2-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136808408
3-ethyl-N-(2-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
CID 136869131
N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136905893
N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136905894
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
CID 136905895
N-(2-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136905896
N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 102037652
N-(4-hydroxyphenyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 28742929
N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742933
N-(4-hydroxyphenyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 28780620
N-(4-hydroxyphenyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 45285299

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide (CID 104670806) is N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N(C)c2ccc(O)cc2)c(C)nn1.
What is the InChIKey of N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide?
The InChIKey is MKVAXZNBBSCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-8-13(10(2)16-15-9)14(19)17(3)11-4-6-12(18)7-5-11/h4-8,18H,1-3H3.
What are the key properties of N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide?
N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104670806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).