N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide

C24H30N4O3 — CID 46364431

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H30N4O3/c1-16-22-19(14-24(2,3)15-20(22)29)28(26-16)18-9-7-17(8-10-18)23(31)25-11-5-13-27-12-4-6-21(27)30/h7-10H,4-6,11-15H2,1-3H3,(H,25,31)
InChIKeyHLYXXZFQNBBHDJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.08
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide (PubChem CID 46364431) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
PubChem CID46364431
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H30N4O3/c1-16-22-19(14-24(2,3)15-20(22)29)28(26-16)18-9-7-17(8-10-18)23(31)25-11-5-13-27-12-4-6-21(27)30/h7-10H,4-6,11-15H2,1-3H3,(H,25,31)
InChIKeyHLYXXZFQNBBHDJ-UHFFFAOYSA-N
XLogP3.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 25094115
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 17476188
N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide
CID 139254204
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 122562091

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide (CID 46364431) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide is Cc1nn(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The InChIKey is HLYXXZFQNBBHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-22-19(14-24(2,3)15-20(22)29)28(26-16)18-9-7-17(8-10-18)23(31)25-11-5-13-27-12-4-6-21(27)30/h7-10H,4-6,11-15H2,1-3H3,(H,25,31).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide is sourced from PubChem (CID 46364431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).