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

C22H18N4O2 — CID 51148760

IUPAC4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccncc1
InChIInChI=1S/C22H18N4O2/c1-15(16-11-13-23-14-12-16)24-21(27)20-18-9-5-6-10-19(18)22(28)26(25-20)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,27)
InChIKeyXWRGMMAJZBRQMX-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.27
Rot. Bonds4

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

4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide (PubChem CID 51148760) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
PubChem CID51148760
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccncc1
InChIInChI=1S/C22H18N4O2/c1-15(16-11-13-23-14-12-16)24-21(27)20-18-9-5-6-10-19(18)22(28)26(25-20)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,27)
InChIKeyXWRGMMAJZBRQMX-UHFFFAOYSA-N
XLogP3.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide
CID 43007778
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661
4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 7335407
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide (CID 51148760) is 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide is CC(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccncc1.
What is the InChIKey of 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide?
The InChIKey is XWRGMMAJZBRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15(16-11-13-23-14-12-16)24-21(27)20-18-9-5-6-10-19(18)22(28)26(25-20)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,27).
What are the key properties of 4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.27, 4 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-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 51148760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).