(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide

C19H21F2N3O2 — CID 95200428

IUPAC(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
SMILESCCN1CC[C@H](C(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1
InChIInChI=1S/C19H21F2N3O2/c1-2-24-9-7-14(12-24)18(25)23-11-13-4-3-8-22-19(13)26-17-6-5-15(20)10-16(17)21/h3-6,8,10,14H,2,7,9,11-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyPQXVCPQHIHEXFA-AWEZNQCLSA-N
MW361.39 g/mol
LogP3.11
Rot. Bonds6

About (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide

(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide (PubChem CID 95200428) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
PubChem CID95200428
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
SMILESCCN1CC[C@H](C(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1
InChIInChI=1S/C19H21F2N3O2/c1-2-24-9-7-14(12-24)18(25)23-11-13-4-3-8-22-19(13)26-17-6-5-15(20)10-16(17)21/h3-6,8,10,14H,2,7,9,11-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyPQXVCPQHIHEXFA-AWEZNQCLSA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
(4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 95223374
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
CID 95219679
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
CID 95190027
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
CID 56759707
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 42196758
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide (CID 95200428) is (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide is CCN1CC[C@H](C(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1.
What is the InChIKey of (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide?
The InChIKey is PQXVCPQHIHEXFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-2-24-9-7-14(12-24)18(25)23-11-13-4-3-8-22-19(13)26-17-6-5-15(20)10-16(17)21/h3-6,8,10,14H,2,7,9,11-12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide?
(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95200428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).