(4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate

C18H15N3O4 — CID 178030105

IUPAC(4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)Oc3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C18H15N3O4/c1-24-14-6-2-12(3-7-14)16-10-11-17(21-20-16)19-18(23)25-15-8-4-13(22)5-9-15/h2-11,22H,1H3,(H,19,21,23)
InChIKeyQVYWGQBWYNVZQF-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.47
Rot. Bonds4

About (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate

(4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate (PubChem CID 178030105) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Name(4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate
PubChem CID178030105
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)Oc3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C18H15N3O4/c1-24-14-6-2-12(3-7-14)16-10-11-17(21-20-16)19-18(23)25-15-8-4-13(22)5-9-15/h2-11,22H,1H3,(H,19,21,23)
InChIKeyQVYWGQBWYNVZQF-UHFFFAOYSA-N
XLogP3.47
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-methoxyphenyl)pyridazin-3-yl]furan-3-carboxamide
CID 178030247
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 178030050
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-methoxyphenyl)propanoate
CID 6417506
methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
CID 113044195
3-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971923
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate?
The IUPAC name of (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate (CID 178030105) is (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate.
What is the SMILES notation for (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate?
The canonical SMILES for (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate is COc1ccc(-c2ccc(NC(=O)Oc3ccc(O)cc3)nn2)cc1.
What is the InChIKey of (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate?
The InChIKey is QVYWGQBWYNVZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-24-14-6-2-12(3-7-14)16-10-11-17(21-20-16)19-18(23)25-15-8-4-13(22)5-9-15/h2-11,22H,1H3,(H,19,21,23).
What are the key properties of (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate?
(4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate has a molecular weight of 337.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) N-[6-(4-methoxyphenyl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 178030105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).