2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile

C16H17BrN6O — CID 145426002

IUPAC2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2)nn1.NC(=O)Cc1ccc(Br)nc1
InChIInChI=1S/C9H10N4.C7H7BrN2O/c10-7-8-3-4-9(12-11-8)13-5-1-2-6-13;8-6-2-1-5(4-10-6)3-7(9)11/h3-4H,1-2,5-6H2;1-2,4H,3H2,(H2,9,11)
InChIKeyXIRHWNUUWQJAGF-UHFFFAOYSA-N
MW389.26 g/mol
LogP1.82
Rot. Bonds3

About 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile

2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile (PubChem CID 145426002) has the molecular formula C16H17BrN6O and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile
PubChem CID145426002
Molecular FormulaC16H17BrN6O
Molecular Weight389.26 g/mol
Exact Mass388.06
IUPAC Name2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2)nn1.NC(=O)Cc1ccc(Br)nc1
InChIInChI=1S/C9H10N4.C7H7BrN2O/c10-7-8-3-4-9(12-11-8)13-5-1-2-6-13;8-6-2-1-5(4-10-6)3-7(9)11/h3-4H,1-2,5-6H2;1-2,4H,3H2,(H2,9,11)
InChIKeyXIRHWNUUWQJAGF-UHFFFAOYSA-N
XLogP1.82
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161855
6-[4-[2-[2-(diethylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161856
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
3-ethynyl-6-pyrrolidin-1-ylpyridazine
CID 89272201
3-(azetidin-1-yl)-6-bromopyridazine
CID 123426042
6-[3-[3-[4-(1-aminopropan-2-yl)phenyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145426005
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931
6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile?
The IUPAC name of 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile (CID 145426002) is 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile is N#Cc1ccc(N2CCCC2)nn1.NC(=O)Cc1ccc(Br)nc1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile?
The InChIKey is XIRHWNUUWQJAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C7H7BrN2O/c10-7-8-3-4-9(12-11-8)13-5-1-2-6-13;8-6-2-1-5(4-10-6)3-7(9)11/h3-4H,1-2,5-6H2;1-2,4H,3H2,(H2,9,11).
What are the key properties of 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile?
2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile has a molecular weight of 389.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile is sourced from PubChem (CID 145426002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).