(2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

C11H13BrFN3O — CID 120928937

IUPAC(2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1cc(N2C[C@H](F)C[C@H]2C(N)=O)ncc1Br
InChIInChI=1S/C11H13BrFN3O/c1-6-2-10(15-4-8(6)12)16-5-7(13)3-9(16)11(14)17/h2,4,7,9H,3,5H2,1H3,(H2,14,17)/t7-,9+/m1/s1
InChIKeyRPBPTIXGFZAXNY-APPZFPTMSA-N
MW302.15 g/mol
LogP1.55
Rot. Bonds2

About (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120928937) has the molecular formula C11H13BrFN3O and a molecular weight of 302.15 g/mol. Its IUPAC name is (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID120928937
Molecular FormulaC11H13BrFN3O
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name(2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1cc(N2C[C@H](F)C[C@H]2C(N)=O)ncc1Br
InChIInChI=1S/C11H13BrFN3O/c1-6-2-10(15-4-8(6)12)16-5-7(13)3-9(16)11(14)17/h2,4,7,9H,3,5H2,1H3,(H2,14,17)/t7-,9+/m1/s1
InChIKeyRPBPTIXGFZAXNY-APPZFPTMSA-N
XLogP1.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide
CID 120928900
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide
CID 120928941
2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide
CID 130136087
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 114869038
1-(5-bromo-4-methyl-2-pyridinyl)-5-methylpiperidin-3-amine
CID 114869589
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine
CID 175065675
1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane
CID 114870444
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (CID 120928937) is (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is Cc1cc(N2C[C@H](F)C[C@H]2C(N)=O)ncc1Br.
What is the InChIKey of (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is RPBPTIXGFZAXNY-APPZFPTMSA-N. The full InChI is InChI=1S/C11H13BrFN3O/c1-6-2-10(15-4-8(6)12)16-5-7(13)3-9(16)11(14)17/h2,4,7,9H,3,5H2,1H3,(H2,14,17)/t7-,9+/m1/s1.
What are the key properties of (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 302.15 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(5-bromo-4-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120928937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).