N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide

C15H12N4O2 — CID 79042904

IUPACN-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ncccc1NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H12N4O2/c1-9-12(7-4-8-16-9)17-15(21)13-10-5-2-3-6-11(10)14(20)19-18-13/h2-8H,1H3,(H,17,21)(H,19,20)
InChIKeyAUYRHHUZVZPAKZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.88
Rot. Bonds2

About N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 79042904) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID79042904
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ncccc1NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H12N4O2/c1-9-12(7-4-8-16-9)17-15(21)13-10-5-2-3-6-11(10)14(20)19-18-13/h2-8H,1H3,(H,17,21)(H,19,20)
InChIKeyAUYRHHUZVZPAKZ-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 79042031
N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18076741
N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18106776
N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60968085
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
CID 60555807
4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-phthalazine-1-carboxamide
CID 33369765
N-(2,4-dimethyl-5-nitrophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 2511469
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(4-benzamido-2,5-diethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 46554717
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
4-oxo-N-(2-prop-2-enylsulfanylphenyl)-3H-phthalazine-1-carboxamide
CID 17414247

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 79042904) is N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide is Cc1ncccc1NC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is AUYRHHUZVZPAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-9-12(7-4-8-16-9)17-15(21)13-10-5-2-3-6-11(10)14(20)19-18-13/h2-8H,1H3,(H,17,21)(H,19,20).
What are the key properties of N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 79042904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).