3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide

C20H22N4O3 — CID 55980142

IUPAC3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N(CCOC)Cc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3/c1-3-24-19(25)17-10-5-4-9-16(17)18(22-24)20(26)23(12-13-27-2)14-15-8-6-7-11-21-15/h4-11H,3,12-14H2,1-2H3
InChIKeyQHXLHQFUZBGUQY-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.10
Rot. Bonds7

About 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide

3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide (PubChem CID 55980142) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
PubChem CID55980142
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N(CCOC)Cc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3/c1-3-24-19(25)17-10-5-4-9-16(17)18(22-24)20(26)23(12-13-27-2)14-15-8-6-7-11-21-15/h4-11H,3,12-14H2,1-2H3
InChIKeyQHXLHQFUZBGUQY-UHFFFAOYSA-N
XLogP2.10
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
1-ethyl-N-(2-methoxyethyl)-2-oxo-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 77080615
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 167878216
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62836098
3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
CID 26710366
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509
3-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61244876

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide (CID 55980142) is 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide is CCn1nc(C(=O)N(CCOC)Cc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The InChIKey is QHXLHQFUZBGUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-24-19(25)17-10-5-4-9-16(17)18(22-24)20(26)23(12-13-27-2)14-15-8-6-7-11-21-15/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 55980142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).