(2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide

C23H29N3O — CID 46888842

IUPAC(2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H29N3O/c24-13-15-3-5-16(6-4-15)14-26-7-1-2-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h3-6,17-22H,1-2,7-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
InChIKeyWUXGFQWDLDOSEJ-ROCCCLLUSA-N
MW363.51 g/mol
LogP3.46
Rot. Bonds4

About (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 46888842) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID46888842
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name(2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H29N3O/c24-13-15-3-5-16(6-4-15)14-26-7-1-2-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h3-6,17-22H,1-2,7-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
InChIKeyWUXGFQWDLDOSEJ-ROCCCLLUSA-N
XLogP3.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide (CID 46888842) is (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide is N#Cc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is WUXGFQWDLDOSEJ-ROCCCLLUSA-N. The full InChI is InChI=1S/C23H29N3O/c24-13-15-3-5-16(6-4-15)14-26-7-1-2-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h3-6,17-22H,1-2,7-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46888842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).