N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

C14H20FN3O2 — CID 75522492

IUPACN-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)Nc2ccncc2F)C1
InChIInChI=1S/C14H20FN3O2/c1-10(2)9-20-11-4-6-18(8-11)14(19)17-13-3-5-16-7-12(13)15/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,16,17,19)
InChIKeyBEHREIKZFABOMO-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.50
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (PubChem CID 75522492) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
PubChem CID75522492
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)Nc2ccncc2F)C1
InChIInChI=1S/C14H20FN3O2/c1-10(2)9-20-11-4-6-18(8-11)14(19)17-13-3-5-16-7-12(13)15/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,16,17,19)
InChIKeyBEHREIKZFABOMO-UHFFFAOYSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 99598686
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 129477628
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 71970584
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide
CID 146103693
N-[(4-cyano-2-fluorophenyl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75426477
(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide
CID 129333410
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 75379878

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (CID 75522492) is N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is CC(C)COC1CCN(C(=O)Nc2ccncc2F)C1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The InChIKey is BEHREIKZFABOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(2)9-20-11-4-6-18(8-11)14(19)17-13-3-5-16-7-12(13)15/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75522492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).