tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate

C19H30FN3O2 — CID 154927655

IUPACtert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCNc1cncc(F)c1CCC1CCC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30FN3O2/c1-18(2,3)25-17(24)23-13(9-10-19(23,4)5)7-8-14-15(20)11-22-12-16(14)21-6/h11-13,21H,7-10H2,1-6H3
InChIKeyWECDBMMRXKAMBE-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.37
Rot. Bonds4

About tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate

tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 154927655) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID154927655
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Nametert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCNc1cncc(F)c1CCC1CCC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30FN3O2/c1-18(2,3)25-17(24)23-13(9-10-19(23,4)5)7-8-14-15(20)11-22-12-16(14)21-6/h11-13,21H,7-10H2,1-6H3
InChIKeyWECDBMMRXKAMBE-UHFFFAOYSA-N
XLogP4.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate 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

tert-butyl 3-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-4-propylsulfanylpiperazine-1-carboxylate
CID 144917370
tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214
tert-butyl 5-[4-[(6-aminosulfanyl-2-pyridinyl)amino]butyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 139428361
tert-butyl 4-[2-[3-[[(2S,3R)-2-azido-3-(4-chlorophenyl)-3-(oxan-4-yl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 121377794
[(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol
CID 144589140
tert-butyl (2R,5S)-2-[2-[3-fluoro-5-[[(3R)-3-(4-fluorophenyl)-3-phenylpropanoyl]amino]-4-pyridinyl]ethyl]-5-formylmorpholine-4-carboxylate
CID 118189765
tert-butyl (2R,5R)-2-[2-[3-fluoro-5-[[(3R)-3-(4-fluorophenyl)-3-phenylpropanoyl]amino]-4-pyridinyl]ethyl]-5-(hydroxymethyl)morpholine-4-carboxylate
CID 118189582
tert-butyl 2-[2-[3-[[(3S)-3-(3,5-difluorophenyl)-3-(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]-5-(hydroxymethyl)morpholine-4-carboxylate
CID 118163775
tert-butyl (2R,5R)-2-[2-[3-[[3,3-bis(4-fluorophenyl)-2-(methoxycarbonylamino)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]-5-(hydroxymethyl)morpholine-4-carboxylate
CID 118163287
tert-butyl (2S,5S)-2-ethynyl-2-[(4-fluorophenoxy)methyl]-5-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 57226231
tert-butyl (6R,9S)-9-[2-[3-fluoro-5-(3,3,3-trifluoro-2-oxopropyl)-4-pyridinyl]ethyl]-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate
CID 159167591

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate (CID 154927655) is tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate is CNc1cncc(F)c1CCC1CCC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is WECDBMMRXKAMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-18(2,3)25-17(24)23-13(9-10-19(23,4)5)7-8-14-15(20)11-22-12-16(14)21-6/h11-13,21H,7-10H2,1-6H3.
What are the key properties of tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 351.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 154927655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).