2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide

C16H14N4O2 — CID 857354

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide
SMILESCc1nn(CC(=O)Nc2cccnc2)c(=O)c2ccccc12
InChIInChI=1S/C16H14N4O2/c1-11-13-6-2-3-7-14(13)16(22)20(19-11)10-15(21)18-12-5-4-8-17-9-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyVOFNVJLMMXWFQX-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide (PubChem CID 857354) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide
PubChem CID857354
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide
SMILESCc1nn(CC(=O)Nc2cccnc2)c(=O)c2ccccc12
InChIInChI=1S/C16H14N4O2/c1-11-13-6-2-3-7-14(13)16(22)20(19-11)10-15(21)18-12-5-4-8-17-9-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyVOFNVJLMMXWFQX-UHFFFAOYSA-N
XLogP1.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Cyanopropan-2-yl)-N-(2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl)benzamide
CID 155920128
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}pyridine-2-carbohydrazide
CID 6878849
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
benzo[c][1,5]naphthyridin-6(5H)-one
CID 10535869
3-aminobenzo[c][1,5]naphthyridin-6(5H)-one
CID 16221809
Benzoic acid pyridin-2-ylmethylene-hydrazide
CID 5333835
CID 24861238
CID 24861238
8-[[4-fluoro-3-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25120129
N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide
CID 5334811
N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
CID 6879789

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide (CID 857354) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide is Cc1nn(CC(=O)Nc2cccnc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide?
The InChIKey is VOFNVJLMMXWFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-13-6-2-3-7-14(13)16(22)20(19-11)10-15(21)18-12-5-4-8-17-9-12/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-3-ylacetamide has a molecular weight of 294.31 g/mol, XLogP of 1.74, 3 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-3-ylacetamide is sourced from PubChem (CID 857354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).