(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide

C14H20FN3O2 — CID 97240765

IUPAC(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)NCc2ncccc2F)C1
InChIInChI=1S/C14H20FN3O2/c1-2-20-10-11-5-7-18(9-11)14(19)17-8-13-12(15)4-3-6-16-13/h3-4,6,11H,2,5,7-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyBQXKCRHTXQBHJB-NSHDSACASA-N
MW281.33 g/mol
LogP1.79
Rot. Bonds5

About (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide

(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97240765) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
PubChem CID97240765
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)NCc2ncccc2F)C1
InChIInChI=1S/C14H20FN3O2/c1-2-20-10-11-5-7-18(9-11)14(19)17-8-13-12(15)4-3-6-16-13/h3-4,6,11H,2,5,7-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyBQXKCRHTXQBHJB-NSHDSACASA-N
XLogP1.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 129067461
3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 139004590
(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 97029592
(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 95934138
(3S)-N-[2-(1-benzothiophen-3-yl)ethyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 96569224
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 71849484
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
(3aR,6aR)-5-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 136583595
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
CID 56790214
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide
CID 138989107
(3R)-N-(furan-3-ylmethyl)-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 126449674

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide (CID 97240765) is (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide is CCOC[C@H]1CCN(C(=O)NCc2ncccc2F)C1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BQXKCRHTXQBHJB-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-20-10-11-5-7-18(9-11)14(19)17-8-13-12(15)4-3-6-16-13/h3-4,6,11H,2,5,7-10H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide?
(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97240765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).