1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide

C11H14BrN3O — CID 103738540

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(N)=O)C1
InChIInChI=1S/C11H14BrN3O/c1-7-4-9(12)5-14-11(7)15-3-2-8(6-15)10(13)16/h4-5,8H,2-3,6H2,1H3,(H2,13,16)
InChIKeyCOHLGBTVWFDBRS-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.46
Rot. Bonds2

About 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide

1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 103738540) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID103738540
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(N)=O)C1
InChIInChI=1S/C11H14BrN3O/c1-7-4-9(12)5-14-11(7)15-3-2-8(6-15)10(13)16/h4-5,8H,2-3,6H2,1H3,(H2,13,16)
InChIKeyCOHLGBTVWFDBRS-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

1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103768234
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide (CID 103738540) is 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide is Cc1cc(Br)cnc1N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is COHLGBTVWFDBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-4-9(12)5-14-11(7)15-3-2-8(6-15)10(13)16/h4-5,8H,2-3,6H2,1H3,(H2,13,16).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide?
1-(5-bromo-3-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-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103738540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).