N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide

C29H33N3O3 — CID 157219980

IUPACN-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC1=CC(=O)Cc2ccc(NC(=O)c3cc(C4(N5CCOCC5)CC4)ccc3N3CCCC3)cc21
InChIInChI=1S/C29H33N3O3/c1-20-16-24(33)17-21-4-6-23(19-25(20)21)30-28(34)26-18-22(5-7-27(26)31-10-2-3-11-31)29(8-9-29)32-12-14-35-15-13-32/h4-7,16,18-19H,2-3,8-15,17H2,1H3,(H,30,34)
InChIKeyOUKHDGJVYDJAKY-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.39
Rot. Bonds5

About N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide

N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 157219980) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID157219980
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC1=CC(=O)Cc2ccc(NC(=O)c3cc(C4(N5CCOCC5)CC4)ccc3N3CCCC3)cc21
InChIInChI=1S/C29H33N3O3/c1-20-16-24(33)17-21-4-6-23(19-25(20)21)30-28(34)26-18-22(5-7-27(26)31-10-2-3-11-31)29(8-9-29)32-12-14-35-15-13-32/h4-7,16,18-19H,2-3,8-15,17H2,1H3,(H,30,34)
InChIKeyOUKHDGJVYDJAKY-UHFFFAOYSA-N
XLogP4.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-(isocyanomethyl)-N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 152826679
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide
CID 148618893
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide (CID 157219980) is N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide is CC1=CC(=O)Cc2ccc(NC(=O)c3cc(C4(N5CCOCC5)CC4)ccc3N3CCCC3)cc21.
What is the InChIKey of N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is OUKHDGJVYDJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-20-16-24(33)17-21-4-6-23(19-25(20)21)30-28(34)26-18-22(5-7-27(26)31-10-2-3-11-31)29(8-9-29)32-12-14-35-15-13-32/h4-7,16,18-19H,2-3,8-15,17H2,1H3,(H,30,34).
What are the key properties of N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide?
N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 471.60 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-5-(1-morpholin-4-ylcyclopropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 157219980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).