4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide

C22H18N4O2 — CID 46652657

IUPAC4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccn1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H18N4O2/c27-21(24-15-13-16-8-6-7-14-23-16)20-18-11-4-5-12-19(18)22(28)26(25-20)17-9-2-1-3-10-17/h1-12,14H,13,15H2,(H,24,27)
InChIKeyMZMWUEWDELEFLQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.75
Rot. Bonds5

About 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide

4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide (PubChem CID 46652657) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
PubChem CID46652657
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccn1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H18N4O2/c27-21(24-15-13-16-8-6-7-14-23-16)20-18-11-4-5-12-19(18)22(28)26(25-20)17-9-2-1-3-10-17/h1-12,14H,13,15H2,(H,24,27)
InChIKeyMZMWUEWDELEFLQ-UHFFFAOYSA-N
XLogP2.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55724601
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39248651
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide (CID 46652657) is 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide is O=C(NCCc1ccccn1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide?
The InChIKey is MZMWUEWDELEFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21(24-15-13-16-8-6-7-14-23-16)20-18-11-4-5-12-19(18)22(28)26(25-20)17-9-2-1-3-10-17/h1-12,14H,13,15H2,(H,24,27).
What are the key properties of 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 46652657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).