(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide

C16H23N7O — CID 95300746

IUPAC(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)n1
InChIInChI=1S/C16H23N7O/c1-11(15(24)20-16-17-7-5-8-18-16)22-9-4-6-14(22)10-23-13(3)19-12(2)21-23/h5,7-8,11,14H,4,6,9-10H2,1-3H3,(H,17,18,20,24)/t11-,14-/m0/s1
InChIKeyFJILUOLOCINMEA-FZMZJTMJSA-N
MW329.41 g/mol
LogP1.18
Rot. Bonds5

About (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide

(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 95300746) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID95300746
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)n1
InChIInChI=1S/C16H23N7O/c1-11(15(24)20-16-17-7-5-8-18-16)22-9-4-6-14(22)10-23-13(3)19-12(2)21-23/h5,7-8,11,14H,4,6,9-10H2,1-3H3,(H,17,18,20,24)/t11-,14-/m0/s1
InChIKeyFJILUOLOCINMEA-FZMZJTMJSA-N
XLogP1.18
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide 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 (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide (CID 95300746) is (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide is Cc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)n1.
What is the InChIKey of (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is FJILUOLOCINMEA-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11(15(24)20-16-17-7-5-8-18-16)22-9-4-6-14(22)10-23-13(3)19-12(2)21-23/h5,7-8,11,14H,4,6,9-10H2,1-3H3,(H,17,18,20,24)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 329.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 95300746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).