N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C16H14N4O3 — CID 90489856

IUPACN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCn1nc(CNC(=O)c2ccc[nH]c2=O)c2ccccc2c1=O
InChIInChI=1S/C16H14N4O3/c1-20-16(23)11-6-3-2-5-10(11)13(19-20)9-18-15(22)12-7-4-8-17-14(12)21/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyQHUOCLLGALJRBX-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.55
Rot. Bonds3

About N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90489856) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90489856
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCn1nc(CNC(=O)c2ccc[nH]c2=O)c2ccccc2c1=O
InChIInChI=1S/C16H14N4O3/c1-20-16(23)11-6-3-2-5-10(11)13(19-20)9-18-15(22)12-7-4-8-17-14(12)21/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyQHUOCLLGALJRBX-UHFFFAOYSA-N
XLogP0.55
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 90489856) is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cn1nc(CNC(=O)c2ccc[nH]c2=O)c2ccccc2c1=O.
What is the InChIKey of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QHUOCLLGALJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-20-16(23)11-6-3-2-5-10(11)13(19-20)9-18-15(22)12-7-4-8-17-14(12)21/h2-8H,9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90489856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).