(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

C24H20N2O3 — CID 52515302

IUPAC(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESC#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C24H20N2O3/c1-2-16-7-5-9-18(15-16)25-23(28)21-11-6-14-26(21)24(29)20-13-12-17-8-3-4-10-19(17)22(20)27/h1,3-5,7-10,12-13,15,21,27H,6,11,14H2,(H,25,28)/t21-/m1/s1
InChIKeyQEXUPLXTZWHZIA-OAQYLSRUSA-N
MW384.44 g/mol
LogP3.77
Rot. Bonds3

About (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 52515302) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID52515302
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESC#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C24H20N2O3/c1-2-16-7-5-9-18(15-16)25-23(28)21-11-6-14-26(21)24(29)20-13-12-17-8-3-4-10-19(17)22(20)27/h1,3-5,7-10,12-13,15,21,27H,6,11,14H2,(H,25,28)/t21-/m1/s1
InChIKeyQEXUPLXTZWHZIA-OAQYLSRUSA-N
XLogP3.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide (CID 52515302) is (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide is C#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)c1.
What is the InChIKey of (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is QEXUPLXTZWHZIA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-2-16-7-5-9-18(15-16)25-23(28)21-11-6-14-26(21)24(29)20-13-12-17-8-3-4-10-19(17)22(20)27/h1,3-5,7-10,12-13,15,21,27H,6,11,14H2,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 52515302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).