2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride

C17H17ClN4O2 — CID 90485291

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
SMILESCc1nn(CC(=O)NCc2ccccn2)c(=O)c2ccccc12.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-12-14-7-2-3-8-15(14)17(23)21(20-12)11-16(22)19-10-13-6-4-5-9-18-13;/h2-9H,10-11H2,1H3,(H,19,22);1H
InChIKeyUIAJKKPNYQEVKN-UHFFFAOYSA-N
MW344.80 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride

2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 90485291) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
PubChem CID90485291
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
SMILESCc1nn(CC(=O)NCc2ccccn2)c(=O)c2ccccc12.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-12-14-7-2-3-8-15(14)17(23)21(20-12)11-16(22)19-10-13-6-4-5-9-18-13;/h2-9H,10-11H2,1H3,(H,19,22);1H
InChIKeyUIAJKKPNYQEVKN-UHFFFAOYSA-N
XLogP1.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712318
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 37185608
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(5-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35762711
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 56747492
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55841798
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 46558629

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride (CID 90485291) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride is Cc1nn(CC(=O)NCc2ccccn2)c(=O)c2ccccc12.Cl.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is UIAJKKPNYQEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.ClH/c1-12-14-7-2-3-8-15(14)17(23)21(20-12)11-16(22)19-10-13-6-4-5-9-18-13;/h2-9H,10-11H2,1H3,(H,19,22);1H.
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 90485291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).