2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide

C9H12BrN3O — CID 61375232

IUPAC2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ncccc1Br
InChIInChI=1S/C9H12BrN3O/c1-13(2)8(14)6-12-9-7(10)4-3-5-11-9/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyXELAGJOTJXVREU-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.34
Rot. Bonds3

About 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide

2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide (PubChem CID 61375232) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide
PubChem CID61375232
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ncccc1Br
InChIInChI=1S/C9H12BrN3O/c1-13(2)8(14)6-12-9-7(10)4-3-5-11-9/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyXELAGJOTJXVREU-UHFFFAOYSA-N
XLogP1.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 62734537
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191508
3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160439
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
N-benzyl-3-bromopyridin-2-amine
CID 11708714
N,N-dimethyl-2-(pyridazin-3-ylamino)acetamide
CID 62482830
3-[(3-bromo-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170853
N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62642737
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide (CID 61375232) is 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ncccc1Br.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide?
The InChIKey is XELAGJOTJXVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-13(2)8(14)6-12-9-7(10)4-3-5-11-9/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide?
2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide has a molecular weight of 258.12 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 61375232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).