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

C26H25N3O3 — CID 51866733

IUPAC(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C26H25N3O3/c30-24-16-20(17-29(24)23-9-5-7-18-6-1-2-8-22(18)23)25(31)27-21-12-10-19(11-13-21)26(32)28-14-3-4-15-28/h1-2,5-13,20H,3-4,14-17H2,(H,27,31)/t20-/m1/s1
InChIKeyWTCPDMPOWIFONQ-HXUWFJFHSA-N
MW427.50 g/mol
LogP4.07
Rot. Bonds4

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

(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 51866733) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID51866733
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C26H25N3O3/c30-24-16-20(17-29(24)23-9-5-7-18-6-1-2-8-22(18)23)25(31)27-21-12-10-19(11-13-21)26(32)28-14-3-4-15-28/h1-2,5-13,20H,3-4,14-17H2,(H,27,31)/t20-/m1/s1
InChIKeyWTCPDMPOWIFONQ-HXUWFJFHSA-N
XLogP4.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46516740
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 94830866
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816

Frequently Asked Questions

What is the IUPAC name of (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 51866733) is (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WTCPDMPOWIFONQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-24-16-20(17-29(24)23-9-5-7-18-6-1-2-8-22(18)23)25(31)27-21-12-10-19(11-13-21)26(32)28-14-3-4-15-28/h1-2,5-13,20H,3-4,14-17H2,(H,27,31)/t20-/m1/s1.
What are the key properties of (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51866733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).