N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide

C15H12N4O2 — CID 18106776

IUPACN-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)nc1
InChIInChI=1S/C15H12N4O2/c1-9-6-7-12(16-8-9)17-15(21)13-10-4-2-3-5-11(10)14(20)19-18-13/h2-8H,1H3,(H,19,20)(H,16,17,21)
InChIKeyGMQQZBURHVPZTO-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.88
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 18106776) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID18106776
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)nc1
InChIInChI=1S/C15H12N4O2/c1-9-6-7-12(16-8-9)17-15(21)13-10-4-2-3-5-11(10)14(20)19-18-13/h2-8H,1H3,(H,19,20)(H,16,17,21)
InChIKeyGMQQZBURHVPZTO-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 18106776) is N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide is Cc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is GMQQZBURHVPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-9-6-7-12(16-8-9)17-15(21)13-10-4-2-3-5-11(10)14(20)19-18-13/h2-8H,1H3,(H,19,20)(H,16,17,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(5-methyl-2-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-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 18106776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).