5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide

C26H23N5O3 — CID 121049626

IUPAC5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1nn(Cc2cccnc2)c(=O)c2ccccc12)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C26H23N5O3/c32-24-13-19(17-30(24)20-8-2-1-3-9-20)25(33)28-15-23-21-10-4-5-11-22(21)26(34)31(29-23)16-18-7-6-12-27-14-18/h1-12,14,19H,13,15-17H2,(H,28,33)
InChIKeyGSAMBRJKLMTDPY-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.51
Rot. Bonds6

About 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide

5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 121049626) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID121049626
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1nn(Cc2cccnc2)c(=O)c2ccccc12)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C26H23N5O3/c32-24-13-19(17-30(24)20-8-2-1-3-9-20)25(33)28-15-23-21-10-4-5-11-22(21)26(34)31(29-23)16-18-7-6-12-27-14-18/h1-12,14,19H,13,15-17H2,(H,28,33)
InChIKeyGSAMBRJKLMTDPY-UHFFFAOYSA-N
XLogP2.51
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

5-oxo-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide
CID 121049298
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
5-oxo-N-(pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188698
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121049579
1-cycloheptyl-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049429
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28893428
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]furan-2-carboxamide
CID 121049617
5-bromo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]pyridine-3-carboxamide
CID 121049488
3,5-dimethyl-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049524
(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39045222
(3S)-5-oxo-N-(pyridin-3-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720889
1-[(4-methoxyphenyl)methyl]-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049733

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide (CID 121049626) is 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide is O=C(NCc1nn(Cc2cccnc2)c(=O)c2ccccc12)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is GSAMBRJKLMTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c32-24-13-19(17-30(24)20-8-2-1-3-9-20)25(33)28-15-23-21-10-4-5-11-22(21)26(34)31(29-23)16-18-7-6-12-27-14-18/h1-12,14,19H,13,15-17H2,(H,28,33).
What are the key properties of 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide?
5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 121049626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).