N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide

C17H29N5O — CID 129330987

IUPACN-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1Cc1ncnn1CC(C)C)C1CC1
InChIInChI=1S/C17H29N5O/c1-13(2)9-22-17(18-12-19-22)11-20-8-4-5-16(20)10-21(14(3)23)15-6-7-15/h12-13,15-16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyBNNGUARNMLWRGK-INIZCTEOSA-N
MW319.45 g/mol
LogP1.91
Rot. Bonds7

About N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129330987) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129330987
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1Cc1ncnn1CC(C)C)C1CC1
InChIInChI=1S/C17H29N5O/c1-13(2)9-22-17(18-12-19-22)11-20-8-4-5-16(20)10-21(14(3)23)15-6-7-15/h12-13,15-16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyBNNGUARNMLWRGK-INIZCTEOSA-N
XLogP1.91
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-bromoethyl)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 80671132
1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
CID 110009563
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79535788
N-cyclopropyl-N-[[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474004
N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344461
N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129003015
N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129333358
N-cyclopropyl-N-[[1-[(2R)-2-hydroxybutyl]pyrrolidin-2-yl]methyl]acetamide
CID 129000680
N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 128967180
N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474418
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129478609
N-cyclopropyl-N-[[1-(2-hydroxy-3-phenylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 128968185

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129330987) is N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(C[C@@H]1CCCN1Cc1ncnn1CC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is BNNGUARNMLWRGK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)9-22-17(18-12-19-22)11-20-8-4-5-16(20)10-21(14(3)23)15-6-7-15/h12-13,15-16H,4-11H2,1-3H3/t16-/m0/s1.
What are the key properties of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129330987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).