N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide

C17H25N5O — CID 121151024

IUPACN-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2ccnn2)C1
InChIInChI=1S/C17H25N5O/c23-16(21-3-1-15(11-21)22-4-2-18-20-22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h2,4,12-15H,1,3,5-11H2,(H,19,23)
InChIKeyZHLGUMWCNZYWJZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.20
Rot. Bonds2

About N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide

N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 121151024) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID121151024
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2ccnn2)C1
InChIInChI=1S/C17H25N5O/c23-16(21-3-1-15(11-21)22-4-2-18-20-22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h2,4,12-15H,1,3,5-11H2,(H,19,23)
InChIKeyZHLGUMWCNZYWJZ-UHFFFAOYSA-N
XLogP2.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide (CID 121151024) is N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2ccnn2)C1.
What is the InChIKey of N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZHLGUMWCNZYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c23-16(21-3-1-15(11-21)22-4-2-18-20-22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h2,4,12-15H,1,3,5-11H2,(H,19,23).
What are the key properties of N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121151024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).