1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide

C27H27N3O3 — CID 46516740

IUPAC1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C27H27N3O3/c31-25-16-22(18-30(25)24-9-5-7-20-6-1-2-8-23(20)24)26(32)28-17-19-10-12-21(13-11-19)27(33)29-14-3-4-15-29/h1-2,5-13,22H,3-4,14-18H2,(H,28,32)
InChIKeyHFUQHAZBUHEDDU-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.75
Rot. Bonds5

About 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide

1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 46516740) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID46516740
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C27H27N3O3/c31-25-16-22(18-30(25)24-9-5-7-20-6-1-2-8-23(20)24)26(32)28-17-19-10-12-21(13-11-19)27(33)29-14-3-4-15-29/h1-2,5-13,22H,3-4,14-18H2,(H,28,32)
InChIKeyHFUQHAZBUHEDDU-UHFFFAOYSA-N
XLogP3.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 51866733
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187486
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119510489
(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124730320
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 46516740) is 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is HFUQHAZBUHEDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-25-16-22(18-30(25)24-9-5-7-20-6-1-2-8-23(20)24)26(32)28-17-19-10-12-21(13-11-19)27(33)29-14-3-4-15-29/h1-2,5-13,22H,3-4,14-18H2,(H,28,32).
What are the key properties of 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46516740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).