(4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate

C19H17N3O3 — CID 54168462

IUPAC(4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate
SMILESCOc1ccc(COC(=O)N=c2ccn(-c3ccccc3)nc2)cc1
InChIInChI=1S/C19H17N3O3/c1-24-18-9-7-15(8-10-18)14-25-19(23)21-16-11-12-22(20-13-16)17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKeyOTHXAFUWUUNIBZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.12
Rot. Bonds4

About (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate

(4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate (PubChem CID 54168462) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate
PubChem CID54168462
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate
SMILESCOc1ccc(COC(=O)N=c2ccn(-c3ccccc3)nc2)cc1
InChIInChI=1S/C19H17N3O3/c1-24-18-9-7-15(8-10-18)14-25-19(23)21-16-11-12-22(20-13-16)17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKeyOTHXAFUWUUNIBZ-UHFFFAOYSA-N
XLogP3.12
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate (CID 54168462) is (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate is COc1ccc(COC(=O)N=c2ccn(-c3ccccc3)nc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate?
The InChIKey is OTHXAFUWUUNIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-18-9-7-15(8-10-18)14-25-19(23)21-16-11-12-22(20-13-16)17-5-3-2-4-6-17/h2-13H,14H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate?
(4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate has a molecular weight of 335.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate is sourced from PubChem (CID 54168462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).