(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

C14H20FN3O2 — CID 99598686

IUPAC(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCC(C)CO[C@H]1CCN(C(=O)Nc2ccc(F)cn2)C1
InChIInChI=1S/C14H20FN3O2/c1-10(2)9-20-12-5-6-18(8-12)14(19)17-13-4-3-11(15)7-16-13/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,17,19)/t12-/m0/s1
InChIKeyAPJIAJAIKXVKIR-LBPRGKRZSA-N
MW281.33 g/mol
LogP2.50
Rot. Bonds4

About (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (PubChem CID 99598686) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
PubChem CID99598686
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCC(C)CO[C@H]1CCN(C(=O)Nc2ccc(F)cn2)C1
InChIInChI=1S/C14H20FN3O2/c1-10(2)9-20-12-5-6-18(8-12)14(19)17-13-4-3-11(15)7-16-13/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,17,19)/t12-/m0/s1
InChIKeyAPJIAJAIKXVKIR-LBPRGKRZSA-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

N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75522492
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 71970584
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-(5-fluoro-2-pyridinyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 86800063
3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 86800008
(3R)-N-(5-fluoro-2-pyridinyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 99597501
(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119946020
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
N-[(4-cyano-2-fluorophenyl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75426477
4-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024360

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (CID 99598686) is (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is CC(C)CO[C@H]1CCN(C(=O)Nc2ccc(F)cn2)C1.
What is the InChIKey of (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The InChIKey is APJIAJAIKXVKIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(2)9-20-12-5-6-18(8-12)14(19)17-13-4-3-11(15)7-16-13/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,17,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
(3S)-N-(5-fluoro-2-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 (3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99598686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).