2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C19H21N5O2 — CID 71799877

IUPAC2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCNc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-16-6-4-15(5-7-16)14-19(25)21-11-10-20-17-8-9-18(23-22-17)24-12-2-3-13-24/h2-9,12-13H,10-11,14H2,1H3,(H,20,22)(H,21,25)
InChIKeyWZVXVVINSMLRQB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.05
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 71799877) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID71799877
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCNc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-16-6-4-15(5-7-16)14-19(25)21-11-10-20-17-8-9-18(23-22-17)24-12-2-3-13-24/h2-9,12-13H,10-11,14H2,1H3,(H,20,22)(H,21,25)
InChIKeyWZVXVVINSMLRQB-UHFFFAOYSA-N
XLogP2.05
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 71799877) is 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is COc1ccc(CC(=O)NCCNc2ccc(-n3cccc3)nn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is WZVXVVINSMLRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-16-6-4-15(5-7-16)14-19(25)21-11-10-20-17-8-9-18(23-22-17)24-12-2-3-13-24/h2-9,12-13H,10-11,14H2,1H3,(H,20,22)(H,21,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 71799877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).