N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C25H24N4O4 — CID 55801632

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cn2)c1
InChIInChI=1S/C25H24N4O4/c1-16(2)29-25(31)21-10-5-4-9-20(21)23(28-29)24(30)27-15-17-11-12-22(26-14-17)33-19-8-6-7-18(13-19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyHGVKCBTZQVPWOF-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.10
Rot. Bonds7

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 55801632) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID55801632
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cn2)c1
InChIInChI=1S/C25H24N4O4/c1-16(2)29-25(31)21-10-5-4-9-20(21)23(28-29)24(30)27-15-17-11-12-22(26-14-17)33-19-8-6-7-18(13-19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyHGVKCBTZQVPWOF-UHFFFAOYSA-N
XLogP4.10
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide with MolForge

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Related Compounds

3-benzyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55800603
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46461819
N-[[3-(difluoromethoxy)phenyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 49337556
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55800565
1-[(2S)-1-hydroxypropan-2-yl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]urea
CID 94055158
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55800853
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55800855
N-[2-(3-methylphenoxy)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78797116
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 55801632) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is COc1cccc(Oc2ccc(CNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is HGVKCBTZQVPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-16(2)29-25(31)21-10-5-4-9-20(21)23(28-29)24(30)27-15-17-11-12-22(26-14-17)33-19-8-6-7-18(13-19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 55801632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).