2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide

C20H23N5O2 — CID 142575534

IUPAC2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
SMILESCCN(CCOC)CC(=O)Nc1cc2cc(-c3ccnnc3)ccc2cn1
InChIInChI=1S/C20H23N5O2/c1-3-25(8-9-27-2)14-20(26)24-19-11-18-10-15(4-5-16(18)12-21-19)17-6-7-22-23-13-17/h4-7,10-13H,3,8-9,14H2,1-2H3,(H,21,24,26)
InChIKeyMRJWEKIIBLPOAR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.60
Rot. Bonds8

About 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide

2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide (PubChem CID 142575534) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
PubChem CID142575534
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
SMILESCCN(CCOC)CC(=O)Nc1cc2cc(-c3ccnnc3)ccc2cn1
InChIInChI=1S/C20H23N5O2/c1-3-25(8-9-27-2)14-20(26)24-19-11-18-10-15(4-5-16(18)12-21-19)17-6-7-22-23-13-17/h4-7,10-13H,3,8-9,14H2,1-2H3,(H,21,24,26)
InChIKeyMRJWEKIIBLPOAR-UHFFFAOYSA-N
XLogP2.60
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 138586327
1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine
CID 166954887
2-[ethyl(2-methoxyethyl)amino]-N-[3-(methylamino)phenyl]acetamide
CID 71219508
4-(2-methoxyethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559234
4-(2-methoxyethylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559201
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468
N-(2-amino-4-methoxyphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444830
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
N-(4-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448483
4-(3-aminoisoquinolin-6-yl)-N-(2-methoxyethyl)-N-propylbenzamide
CID 122571730
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448387

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide (CID 142575534) is 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide is CCN(CCOC)CC(=O)Nc1cc2cc(-c3ccnnc3)ccc2cn1.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide?
The InChIKey is MRJWEKIIBLPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-25(8-9-27-2)14-20(26)24-19-11-18-10-15(4-5-16(18)12-21-19)17-6-7-22-23-13-17/h4-7,10-13H,3,8-9,14H2,1-2H3,(H,21,24,26).
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide?
2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide is sourced from PubChem (CID 142575534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).