(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide

C18H20FN3O3 — CID 124617297

IUPAC(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccncc2F)cc1OC
InChIInChI=1S/C18H20FN3O3/c1-24-16-6-5-12(10-17(16)25-2)15-4-3-9-22(15)18(23)21-14-7-8-20-11-13(14)19/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,21,23)/t15-/m1/s1
InChIKeyKOBHSJRSTIGIFN-OAHLLOKOSA-N
MW345.37 g/mol
LogP3.61
Rot. Bonds4

About (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide

(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 124617297) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID124617297
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccncc2F)cc1OC
InChIInChI=1S/C18H20FN3O3/c1-24-16-6-5-12(10-17(16)25-2)15-4-3-9-22(15)18(23)21-14-7-8-20-11-13(14)19/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,21,23)/t15-/m1/s1
InChIKeyKOBHSJRSTIGIFN-OAHLLOKOSA-N
XLogP3.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
(2S)-N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 51930414
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide
CID 136559274
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 51116489
(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 97063433
(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124872162
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide (CID 124617297) is (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide is COc1ccc([C@H]2CCCN2C(=O)Nc2ccncc2F)cc1OC.
What is the InChIKey of (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is KOBHSJRSTIGIFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-24-16-6-5-12(10-17(16)25-2)15-4-3-9-22(15)18(23)21-14-7-8-20-11-13(14)19/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124617297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).