(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C19H22FN3O2 — CID 95626421

IUPAC(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C[C@H](O)c2cccc(F)c2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-5-2-9-18(21-13)22-19(25)16-8-4-10-23(16)12-17(24)14-6-3-7-15(20)11-14/h2-3,5-7,9,11,16-17,24H,4,8,10,12H2,1H3,(H,21,22,25)/t16-,17-/m0/s1
InChIKeyMYLAKGBFGADLID-IRXDYDNUSA-N
MW343.40 g/mol
LogP2.67
Rot. Bonds5

About (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 95626421) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID95626421
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C[C@H](O)c2cccc(F)c2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-5-2-9-18(21-13)22-19(25)16-8-4-10-23(16)12-17(24)14-6-3-7-15(20)11-14/h2-3,5-7,9,11,16-17,24H,4,8,10,12H2,1H3,(H,21,22,25)/t16-,17-/m0/s1
InChIKeyMYLAKGBFGADLID-IRXDYDNUSA-N
XLogP2.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315418
1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
CID 111564989
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 129426151
N-(6-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019426
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
(1S)-1-(3-fluorophenyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842129
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
(1R)-1-(3-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95343853
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 95626421) is (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN2C[C@H](O)c2cccc(F)c2)n1.
What is the InChIKey of (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is MYLAKGBFGADLID-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-5-2-9-18(21-13)22-19(25)16-8-4-10-23(16)12-17(24)14-6-3-7-15(20)11-14/h2-3,5-7,9,11,16-17,24H,4,8,10,12H2,1H3,(H,21,22,25)/t16-,17-/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95626421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).