5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile

C12H15BrN4 — CID 76848472

IUPAC5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)[C@H]1CCN(c2ncc(Br)cc2C#N)C1
InChIInChI=1S/C12H15BrN4/c1-16(2)11-3-4-17(8-11)12-9(6-14)5-10(13)7-15-12/h5,7,11H,3-4,8H2,1-2H3/t11-/m0/s1
InChIKeySYBZKKRPMLOUIG-NSHDSACASA-N
MW295.18 g/mol
LogP1.86
Rot. Bonds2

About 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile

5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 76848472) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID76848472
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)[C@H]1CCN(c2ncc(Br)cc2C#N)C1
InChIInChI=1S/C12H15BrN4/c1-16(2)11-3-4-17(8-11)12-9(6-14)5-10(13)7-15-12/h5,7,11H,3-4,8H2,1-2H3/t11-/m0/s1
InChIKeySYBZKKRPMLOUIG-NSHDSACASA-N
XLogP1.86
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 76848485
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
2-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63184392
5-bromo-2-[4-(dimethylamino)piperidin-1-yl]benzonitrile
CID 86811095
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 166601229
N-[4-[chloro(difluoro)methoxy]phenyl]-5-cyano-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135258178
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171328145
5-bromo-2-[3-[methyl(pyrimidin-2-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 171996151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 76848472) is 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile is CN(C)[C@H]1CCN(c2ncc(Br)cc2C#N)C1.
What is the InChIKey of 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SYBZKKRPMLOUIG-NSHDSACASA-N. The full InChI is InChI=1S/C12H15BrN4/c1-16(2)11-3-4-17(8-11)12-9(6-14)5-10(13)7-15-12/h5,7,11H,3-4,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 295.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 76848472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).