(2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

C19H21F2N3O3 — CID 135337877

IUPAC(2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OCc2ccnc(F)c2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C19H21F2N3O3/c1-26-16-9-17(27-11-12-4-6-23-18(21)7-12)14(20)8-13(16)10-24-19(25)15-3-2-5-22-15/h4,6-9,15,22H,2-3,5,10-11H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyFWRMJXNKZKFBQC-HNNXBMFYSA-N
MW377.39 g/mol
LogP2.32
Rot. Bonds7

About (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 135337877) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID135337877
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name(2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OCc2ccnc(F)c2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C19H21F2N3O3/c1-26-16-9-17(27-11-12-4-6-23-18(21)7-12)14(20)8-13(16)10-24-19(25)15-3-2-5-22-15/h4,6-9,15,22H,2-3,5,10-11H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyFWRMJXNKZKFBQC-HNNXBMFYSA-N
XLogP2.32
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 153319809
(2S)-N-[[5-fluoro-2-methoxy-4-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 135337681
N-[[5-fluoro-2-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 153319822
(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 135337674
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119316734
N-[[6-(cyclohexylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721524
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (CID 135337877) is (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is COc1cc(OCc2ccnc(F)c2)c(F)cc1CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FWRMJXNKZKFBQC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-26-16-9-17(27-11-12-4-6-23-18(21)7-12)14(20)8-13(16)10-24-19(25)15-3-2-5-22-15/h4,6-9,15,22H,2-3,5,10-11H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135337877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).