1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide

C11H14BrN3O — CID 107257846

IUPAC1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1ccnc(N2CCC(C(N)=O)C2)c1Br
InChIInChI=1S/C11H14BrN3O/c1-7-2-4-14-11(9(7)12)15-5-3-8(6-15)10(13)16/h2,4,8H,3,5-6H2,1H3,(H2,13,16)
InChIKeyXFLFOMVVQWXGFK-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.46
Rot. Bonds2

About 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide

1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 107257846) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID107257846
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1ccnc(N2CCC(C(N)=O)C2)c1Br
InChIInChI=1S/C11H14BrN3O/c1-7-2-4-14-11(9(7)12)15-5-3-8(6-15)10(13)16/h2,4,8H,3,5-6H2,1H3,(H2,13,16)
InChIKeyXFLFOMVVQWXGFK-UHFFFAOYSA-N
XLogP1.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 165488499
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 106876147
1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
CID 133283487
1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 56815478
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103768234
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
CID 102563458

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide (CID 107257846) is 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide is Cc1ccnc(N2CCC(C(N)=O)C2)c1Br.
What is the InChIKey of 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is XFLFOMVVQWXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-2-4-14-11(9(7)12)15-5-3-8(6-15)10(13)16/h2,4,8H,3,5-6H2,1H3,(H2,13,16).
What are the key properties of 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 107257846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).