N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

C24H24N4O3 — CID 5308577

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C24H24N4O3/c1-17(8-9-19-5-4-14-31-19)26-23(29)16-28-24(30)21-7-3-2-6-20(21)22(27-28)15-18-10-12-25-13-11-18/h2-7,10-14,17H,8-9,15-16H2,1H3,(H,26,29)
InChIKeyAQDGOHVNSSCWRO-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.11
Rot. Bonds8

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

N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 5308577) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID5308577
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C24H24N4O3/c1-17(8-9-19-5-4-14-31-19)26-23(29)16-28-24(30)21-7-3-2-6-20(21)22(27-28)15-18-10-12-25-13-11-18/h2-7,10-14,17H,8-9,15-16H2,1H3,(H,26,29)
InChIKeyAQDGOHVNSSCWRO-UHFFFAOYSA-N
XLogP3.11
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20875983
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 122175769
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485713
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9141827
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875895
N-(3-ethoxypropyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875840
N-(2-methyl-3-nitrophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 46258676
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 122175759
N-(4-fluorophenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875884

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (CID 5308577) is N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is CC(CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is AQDGOHVNSSCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17(8-9-19-5-4-14-31-19)26-23(29)16-28-24(30)21-7-3-2-6-20(21)22(27-28)15-18-10-12-25-13-11-18/h2-7,10-14,17H,8-9,15-16H2,1H3,(H,26,29).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 5308577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).