5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide

C10H12BrN3O — CID 86031906

IUPAC5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(NN1CCCC1)c1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3O/c11-8-3-4-9(12-7-8)10(15)13-14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,13,15)
InChIKeyRUUXFSPVOZTOBP-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.58
Rot. Bonds2

About 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide

5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 86031906) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID86031906
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(NN1CCCC1)c1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3O/c11-8-3-4-9(12-7-8)10(15)13-14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,13,15)
InChIKeyRUUXFSPVOZTOBP-UHFFFAOYSA-N
XLogP1.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide
CID 79107190
5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
CID 79107296
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
N-piperidin-1-ylquinoline-2-carboxamide
CID 9270998
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
CID 155973765
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide (CID 86031906) is 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(NN1CCCC1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is RUUXFSPVOZTOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-8-3-4-9(12-7-8)10(15)13-14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,13,15).
What are the key properties of 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide?
5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 86031906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).