2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide

C26H26N4O2 — CID 20875983

IUPAC2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C26H26N4O2/c1-19(13-14-20-8-3-2-4-9-20)28-25(31)18-30-26(32)23-12-6-5-11-22(23)24(29-30)16-21-10-7-15-27-17-21/h2-12,15,17,19H,13-14,16,18H2,1H3,(H,28,31)
InChIKeySDSOSWKUFFNFNG-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.52
Rot. Bonds8

About 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 20875983) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID20875983
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C26H26N4O2/c1-19(13-14-20-8-3-2-4-9-20)28-25(31)18-30-26(32)23-12-6-5-11-22(23)24(29-30)16-21-10-7-15-27-17-21/h2-12,15,17,19H,13-14,16,18H2,1H3,(H,28,31)
InChIKeySDSOSWKUFFNFNG-UHFFFAOYSA-N
XLogP3.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875995
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 20876004
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92505482
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
methyl 6-[[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20876010
N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875976
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 22514476
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074941

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 20875983) is 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O.
What is the InChIKey of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is SDSOSWKUFFNFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19(13-14-20-8-3-2-4-9-20)28-25(31)18-30-26(32)23-12-6-5-11-22(23)24(29-30)16-21-10-7-15-27-17-21/h2-12,15,17,19H,13-14,16,18H2,1H3,(H,28,31).
What are the key properties of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 20875983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).