3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide

C23H19N5O4 — CID 3427505

IUPAC3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccccn3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H19N5O4/c1-32-16-11-9-15(10-12-16)28-23(31)18-7-3-2-6-17(18)21(27-28)22(30)25-14-20(29)26-19-8-4-5-13-24-19/h2-13H,14H2,1H3,(H,25,30)(H,24,26,29)
InChIKeyRSRDJVIBWQOJDL-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.16
Rot. Bonds6

About 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide

3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide (PubChem CID 3427505) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide
PubChem CID3427505
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccccn3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H19N5O4/c1-32-16-11-9-15(10-12-16)28-23(31)18-7-3-2-6-17(18)21(27-28)22(30)25-14-20(29)26-19-8-4-5-13-24-19/h2-13H,14H2,1H3,(H,25,30)(H,24,26,29)
InChIKeyRSRDJVIBWQOJDL-UHFFFAOYSA-N
XLogP2.16
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 1440879
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CID 1452688
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicotinamide
CID 10270022
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 141503871
1-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 141503885
N-[4-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 141503886
3-[(4-Methoxyphenyl)amino]-2-pyridin-2-ylisoindolin-1-one
CID 16194350
N-(4-methoxyphenyl)-2-[(2-phenylethyl)amino]nicotinamide
CID 715271
(4E)-4-[(4-methoxyanilino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione
CID 1857723
2-anilino-N-(4-methoxyphenyl)nicotinamide
CID 2219320

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide (CID 3427505) is 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccccn3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide?
The InChIKey is RSRDJVIBWQOJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-32-16-11-9-15(10-12-16)28-23(31)18-7-3-2-6-17(18)21(27-28)22(30)25-14-20(29)26-19-8-4-5-13-24-19/h2-13H,14H2,1H3,(H,25,30)(H,24,26,29).
What are the key properties of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide?
3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 3427505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).