tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate

C15H22FN3O2 — CID 66694551

IUPACtert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN2CCC(F)C2)cn1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)18-13-5-4-11(8-17-13)9-19-7-6-12(16)10-19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,18,20)
InChIKeyGQGGNSHGXPWPLV-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate

tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate (PubChem CID 66694551) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
PubChem CID66694551
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Nametert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN2CCC(F)C2)cn1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)18-13-5-4-11(8-17-13)9-19-7-6-12(16)10-19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,18,20)
InChIKeyGQGGNSHGXPWPLV-UHFFFAOYSA-N
XLogP2.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]phenyl]ethyl]carbamate
CID 59239835
tert-butyl N-[(3R)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]carbamate
CID 71629138
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
CID 150097350
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
CID 107243166
tert-butyl N-[1-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 166226334
tert-butyl N-[[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 95044081
tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
CID 145262519
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
tert-butyl N-[[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174474

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate (CID 66694551) is tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CN2CCC(F)C2)cn1.
What is the InChIKey of tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate?
The InChIKey is GQGGNSHGXPWPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)18-13-5-4-11(8-17-13)9-19-7-6-12(16)10-19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,18,20).
What are the key properties of tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate has a molecular weight of 295.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 66694551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).