N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

C17H17F2N3O2 — CID 56757836

IUPACN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)C1CCNC1
InChIInChI=1S/C17H17F2N3O2/c18-13-3-4-15(14(19)8-13)24-17-12(2-1-6-21-17)10-22-16(23)11-5-7-20-9-11/h1-4,6,8,11,20H,5,7,9-10H2,(H,22,23)
InChIKeyDCHYVOBRDABNBU-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.38
Rot. Bonds5

About N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 56757836) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID56757836
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)C1CCNC1
InChIInChI=1S/C17H17F2N3O2/c18-13-3-4-15(14(19)8-13)24-17-12(2-1-6-21-17)10-22-16(23)11-5-7-20-9-11/h1-4,6,8,11,20H,5,7,9-10H2,(H,22,23)
InChIKeyDCHYVOBRDABNBU-UHFFFAOYSA-N
XLogP2.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 95191447
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429
(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200428
(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
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
(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
N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119892844
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
CID 56759707
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 56757836) is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1cccnc1Oc1ccc(F)cc1F)C1CCNC1.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is DCHYVOBRDABNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-13-3-4-15(14(19)8-13)24-17-12(2-1-6-21-17)10-22-16(23)11-5-7-20-9-11/h1-4,6,8,11,20H,5,7,9-10H2,(H,22,23).
What are the key properties of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56757836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).