N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C16H14N4O2 — CID 18106765

IUPACN-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)nc1
InChIInChI=1S/C16H14N4O2/c1-10-6-7-14(17-9-10)18-15(21)8-13-11-4-2-3-5-12(11)16(22)20-19-13/h2-7,9H,8H2,1H3,(H,20,22)(H,17,18,21)
InChIKeyAFCNFYWCJMKPIO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.81
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 18106765) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID18106765
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)nc1
InChIInChI=1S/C16H14N4O2/c1-10-6-7-14(17-9-10)18-15(21)8-13-11-4-2-3-5-12(11)16(22)20-19-13/h2-7,9H,8H2,1H3,(H,20,22)(H,17,18,21)
InChIKeyAFCNFYWCJMKPIO-UHFFFAOYSA-N
XLogP1.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18106776
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2558717
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4782858
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 167955554
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 26703210
N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4802653

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 18106765) is N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is AFCNFYWCJMKPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-6-7-14(17-9-10)18-15(21)8-13-11-4-2-3-5-12(11)16(22)20-19-13/h2-7,9H,8H2,1H3,(H,20,22)(H,17,18,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 18106765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).