(3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate

C23H25N3O5 — CID 54242410

IUPAC(3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate
SMILESCCCCOc1cc(=NC(=O)Oc2cc(OC)cc(OC)c2)cnn1-c1ccccc1
InChIInChI=1S/C23H25N3O5/c1-4-5-11-30-22-12-17(16-24-26(22)18-9-7-6-8-10-18)25-23(27)31-21-14-19(28-2)13-20(15-21)29-3/h6-10,12-16H,4-5,11H2,1-3H3
InChIKeyQQYBGHSNNBECIS-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.17
Rot. Bonds8

About (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate

(3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate (PubChem CID 54242410) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate
PubChem CID54242410
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name(3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate
SMILESCCCCOc1cc(=NC(=O)Oc2cc(OC)cc(OC)c2)cnn1-c1ccccc1
InChIInChI=1S/C23H25N3O5/c1-4-5-11-30-22-12-17(16-24-26(22)18-9-7-6-8-10-18)25-23(27)31-21-14-19(28-2)13-20(15-21)29-3/h6-10,12-16H,4-5,11H2,1-3H3
InChIKeyQQYBGHSNNBECIS-UHFFFAOYSA-N
XLogP4.17
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate?
The IUPAC name of (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate (CID 54242410) is (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate.
What is the SMILES notation for (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate?
The canonical SMILES for (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate is CCCCOc1cc(=NC(=O)Oc2cc(OC)cc(OC)c2)cnn1-c1ccccc1.
What is the InChIKey of (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate?
The InChIKey is QQYBGHSNNBECIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-5-11-30-22-12-17(16-24-26(22)18-9-7-6-8-10-18)25-23(27)31-21-14-19(28-2)13-20(15-21)29-3/h6-10,12-16H,4-5,11H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate?
(3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate has a molecular weight of 423.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate is sourced from PubChem (CID 54242410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).