N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide

C12H16BrN3O — CID 67362705

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(Br)cnc1NC(=O)CN1CCCC1
InChIInChI=1S/C12H16BrN3O/c1-9-6-10(13)7-14-12(9)15-11(17)8-16-4-2-3-5-16/h6-7H,2-5,8H2,1H3,(H,14,15,17)
InChIKeyYXXIZZXVDBVSTH-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.19
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 67362705) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
PubChem CID67362705
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(Br)cnc1NC(=O)CN1CCCC1
InChIInChI=1S/C12H16BrN3O/c1-9-6-10(13)7-14-12(9)15-11(17)8-16-4-2-3-5-16/h6-7H,2-5,8H2,1H3,(H,14,15,17)
InChIKeyYXXIZZXVDBVSTH-UHFFFAOYSA-N
XLogP2.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide
CID 83167352
1-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 83170239
N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
CID 661163
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112699008
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 83166512

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide (CID 67362705) is N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide is Cc1cc(Br)cnc1NC(=O)CN1CCCC1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is YXXIZZXVDBVSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-9-6-10(13)7-14-12(9)15-11(17)8-16-4-2-3-5-16/h6-7H,2-5,8H2,1H3,(H,14,15,17).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 298.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 67362705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).