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

C17H17F2N3O2 — CID 56745553

IUPAC(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1CCCN1
InChIInChI=1S/C17H17F2N3O2/c18-12-5-6-15(13(19)9-12)24-17-11(3-1-8-21-17)10-22-16(23)14-4-2-7-20-14/h1,3,5-6,8-9,14,20H,2,4,7,10H2,(H,22,23)/t14-/m0/s1
InChIKeyMKXQDOCEJNQPKP-AWEZNQCLSA-N
MW333.34 g/mol
LogP2.52
Rot. Bonds5

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

(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56745553) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID56745553
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1CCCN1
InChIInChI=1S/C17H17F2N3O2/c18-12-5-6-15(13(19)9-12)24-17-11(3-1-8-21-17)10-22-16(23)14-4-2-7-20-14/h1,3,5-6,8-9,14,20H,2,4,7,10H2,(H,22,23)/t14-/m0/s1
InChIKeyMKXQDOCEJNQPKP-AWEZNQCLSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 56745553) is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is MKXQDOCEJNQPKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-12-5-6-15(13(19)9-12)24-17-11(3-1-8-21-17)10-22-16(23)14-4-2-7-20-14/h1,3,5-6,8-9,14,20H,2,4,7,10H2,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56745553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).