1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide

C20H18N4O3 — CID 42897417

IUPAC1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H18N4O3/c21-18(25)16-11-6-12-23(16)20(27)17-14-9-4-5-10-15(14)19(26)24(22-17)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,21,25)
InChIKeyCLEWVBBBBPOGPU-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide

1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 42897417) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide
PubChem CID42897417
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H18N4O3/c21-18(25)16-11-6-12-23(16)20(27)17-14-9-4-5-10-15(14)19(26)24(22-17)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,21,25)
InChIKeyCLEWVBBBBPOGPU-UHFFFAOYSA-N
XLogP1.48
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-oxo-3-phenylphthalazine-1-carbonyl)azetidine-2-carboxylic acid
CID 167940096
2-phenyl-4-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]phthalazin-1-one
CID 38722701
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
CID 41059504
2-phenyl-4-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]phthalazin-1-one
CID 42024842
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 154306705
(2-amino-2-oxoethyl) 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2699543
(2S)-N-cyclopropyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 51727331
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide (CID 42897417) is 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CLEWVBBBBPOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-18(25)16-11-6-12-23(16)20(27)17-14-9-4-5-10-15(14)19(26)24(22-17)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H2,21,25).
What are the key properties of 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide?
1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42897417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).