(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide

C15H25N5O2 — CID 163303070

IUPAC(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](n1ccnn1)C(C)(C)C
InChIInChI=1S/C15H25N5O2/c1-10-8-11(13(21)16-5)19(9-10)14(22)12(15(2,3)4)20-7-6-17-18-20/h6-7,10-12H,8-9H2,1-5H3,(H,16,21)/t10-,11+,12-/m1/s1
InChIKeyLGQHNPHAZBVZAX-GRYCIOLGSA-N
MW307.40 g/mol
LogP0.85
Rot. Bonds3

About (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide

(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide (PubChem CID 163303070) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide
PubChem CID163303070
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](n1ccnn1)C(C)(C)C
InChIInChI=1S/C15H25N5O2/c1-10-8-11(13(21)16-5)19(9-10)14(22)12(15(2,3)4)20-7-6-17-18-20/h6-7,10-12H,8-9H2,1-5H3,(H,16,21)/t10-,11+,12-/m1/s1
InChIKeyLGQHNPHAZBVZAX-GRYCIOLGSA-N
XLogP0.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]-3-piperidinecarboxamide
CID 72876563
(3R*,5S*)-5-(pyrrolidin-1-ylcarbonyl)-N-[3-(1H-1,2,3-triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72840780
1-methyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 91797106
(1S)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 124616491
1-(2,2-Dimethylpropyl)-3-[3-(triazol-1-yl)pyrrolidin-1-yl]piperidin-2-one
CID 126824241
2-Fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 170519073
WO2022104345, Example S4
CID 163302957
(4,4-Difluoropyrrolidin-2-yl)-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone;hydrochloride
CID 120955136
(4,4-Difluoropyrrolidin-2-yl)-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120955137
(4,4-Difluoropyrrolidin-2-yl)-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone;hydrochloride
CID 120955177
(4,4-Difluoropyrrolidin-2-yl)-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120955178
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(1H-1,2,3-triazol-1-yl)acetamide
CID 118777330

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide (CID 163303070) is (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](n1ccnn1)C(C)(C)C.
What is the InChIKey of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LGQHNPHAZBVZAX-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10-8-11(13(21)16-5)19(9-10)14(22)12(15(2,3)4)20-7-6-17-18-20/h6-7,10-12H,8-9H2,1-5H3,(H,16,21)/t10-,11+,12-/m1/s1.
What are the key properties of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide?
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163303070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).