tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate

C17H26F3N5O2 — CID 141434613

IUPACtert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN([C@@H](c2ccc(NN)nc2)C(F)(F)F)C1
InChIInChI=1S/C17H26F3N5O2/c1-16(2,3)27-15(26)24(4)12-7-8-25(10-12)14(17(18,19)20)11-5-6-13(23-21)22-9-11/h5-6,9,12,14H,7-8,10,21H2,1-4H3,(H,22,23)/t12?,14-/m0/s1
InChIKeyWVVHNKQKKHVLNO-PYMCNQPYSA-N
MW389.42 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate (PubChem CID 141434613) has the molecular formula C17H26F3N5O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate
PubChem CID141434613
Molecular FormulaC17H26F3N5O2
Molecular Weight389.42 g/mol
Exact Mass389.20
IUPAC Nametert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN([C@@H](c2ccc(NN)nc2)C(F)(F)F)C1
InChIInChI=1S/C17H26F3N5O2/c1-16(2,3)27-15(26)24(4)12-7-8-25(10-12)14(17(18,19)20)11-5-6-13(23-21)22-9-11/h5-6,9,12,14H,7-8,10,21H2,1-4H3,(H,22,23)/t12?,14-/m0/s1
InChIKeyWVVHNKQKKHVLNO-PYMCNQPYSA-N
XLogP2.91
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate 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 tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate (CID 141434613) is tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN([C@@H](c2ccc(NN)nc2)C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate?
The InChIKey is WVVHNKQKKHVLNO-PYMCNQPYSA-N. The full InChI is InChI=1S/C17H26F3N5O2/c1-16(2,3)27-15(26)24(4)12-7-8-25(10-12)14(17(18,19)20)11-5-6-13(23-21)22-9-11/h5-6,9,12,14H,7-8,10,21H2,1-4H3,(H,22,23)/t12?,14-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate has a molecular weight of 389.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 141434613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).