2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide

C21H20N4O3 — CID 69090705

IUPAC2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc[nH]c1=O
InChIInChI=1S/C21H20N4O3/c26-19-17(9-4-10-22-19)20(27)23-14-6-3-5-13(11-14)12-18-15-7-1-2-8-16(15)21(28)25-24-18/h3-6,9-11H,1-2,7-8,12H2,(H,22,26)(H,23,27)(H,25,28)
InChIKeyOOWZYDKHANTMGH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.18
Rot. Bonds4

About 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide

2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide (PubChem CID 69090705) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
PubChem CID69090705
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc[nH]c1=O
InChIInChI=1S/C21H20N4O3/c26-19-17(9-4-10-22-19)20(27)23-14-6-3-5-13(11-14)12-18-15-7-1-2-8-16(15)21(28)25-24-18/h3-6,9-11H,1-2,7-8,12H2,(H,22,26)(H,23,27)(H,25,28)
InChIKeyOOWZYDKHANTMGH-UHFFFAOYSA-N
XLogP2.18
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide (CID 69090705) is 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide is O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is OOWZYDKHANTMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19-17(9-4-10-22-19)20(27)23-14-6-3-5-13(11-14)12-18-15-7-1-2-8-16(15)21(28)25-24-18/h3-6,9-11H,1-2,7-8,12H2,(H,22,26)(H,23,27)(H,25,28).
What are the key properties of 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 69090705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).