(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone

C19H21BrN2O — CID 95592245

IUPAC(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
SMILESCC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C19H21BrN2O/c1-2-17(14-7-4-3-5-8-14)18-9-6-10-22(18)19(23)15-11-16(20)13-21-12-15/h3-5,7-8,11-13,17-18H,2,6,9-10H2,1H3/t17-,18-/m0/s1
InChIKeyOBTZSPHXKRIKJV-ROUUACIJSA-N
MW373.29 g/mol
LogP4.64
Rot. Bonds4

About (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone (PubChem CID 95592245) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
PubChem CID95592245
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
SMILESCC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C19H21BrN2O/c1-2-17(14-7-4-3-5-8-14)18-9-6-10-22(18)19(23)15-11-16(20)13-21-12-15/h3-5,7-8,11-13,17-18H,2,6,9-10H2,1H3/t17-,18-/m0/s1
InChIKeyOBTZSPHXKRIKJV-ROUUACIJSA-N
XLogP4.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122883
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95592322
N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 95592243

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone (CID 95592245) is (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone is CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The InChIKey is OBTZSPHXKRIKJV-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-2-17(14-7-4-3-5-8-14)18-9-6-10-22(18)19(23)15-11-16(20)13-21-12-15/h3-5,7-8,11-13,17-18H,2,6,9-10H2,1H3/t17-,18-/m0/s1.
What are the key properties of (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone has a molecular weight of 373.29 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95592245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).