N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide

C15H12N4O2 — CID 106936708

IUPACN-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide
SMILESCN(C(=O)c1n[nH]c(=O)c2ccccc12)c1ccncc1
InChIInChI=1S/C15H12N4O2/c1-19(10-6-8-16-9-7-10)15(21)13-11-4-2-3-5-12(11)14(20)18-17-13/h2-9H,1H3,(H,18,20)
InChIKeyXLJJIUDOLUDGJR-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.59
Rot. Bonds2

About N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide

N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide (PubChem CID 106936708) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide
PubChem CID106936708
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide
SMILESCN(C(=O)c1n[nH]c(=O)c2ccccc12)c1ccncc1
InChIInChI=1S/C15H12N4O2/c1-19(10-6-8-16-9-7-10)15(21)13-11-4-2-3-5-12(11)14(20)18-17-13/h2-9H,1H3,(H,18,20)
InChIKeyXLJJIUDOLUDGJR-UHFFFAOYSA-N
XLogP1.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide (CID 106936708) is N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide is CN(C(=O)c1n[nH]c(=O)c2ccccc12)c1ccncc1.
What is the InChIKey of N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide?
The InChIKey is XLJJIUDOLUDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-19(10-6-8-16-9-7-10)15(21)13-11-4-2-3-5-12(11)14(20)18-17-13/h2-9H,1H3,(H,18,20).
What are the key properties of N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide?
N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 106936708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).