benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate

C16H17N3O3 — CID 169471276

IUPACbenzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OCc2ccccc2)nn1
InChIInChI=1S/C16H17N3O3/c1-21-15-10-9-14(18-19-15)8-5-11-17-16(20)22-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeyOQYZNMXSXKXSTH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.42
Rot. Bonds6

About benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate

benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate (PubChem CID 169471276) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
PubChem CID169471276
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namebenzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OCc2ccccc2)nn1
InChIInChI=1S/C16H17N3O3/c1-21-15-10-9-14(18-19-15)8-5-11-17-16(20)22-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeyOQYZNMXSXKXSTH-UHFFFAOYSA-N
XLogP2.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169472638
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate
CID 169471802
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[(E)-4-methylpent-2-enyl]carbamate
CID 101141874
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate
CID 169471883
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate (CID 169471276) is benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate is COc1ccc(C=CCNC(=O)OCc2ccccc2)nn1.
What is the InChIKey of benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate?
The InChIKey is OQYZNMXSXKXSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-15-10-9-14(18-19-15)8-5-11-17-16(20)22-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,20).
What are the key properties of benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate?
benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate has a molecular weight of 299.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).