N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

C18H22BrN5O — CID 86894652

IUPACN-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC1CCCN1c1cccnn1
InChIInChI=1S/C18H22BrN5O/c1-23(13-18(25)21-16-8-3-2-7-15(16)19)12-14-6-5-11-24(14)17-9-4-10-20-22-17/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,21,25)
InChIKeyRKKKQLGUBMOXRN-UHFFFAOYSA-N
MW404.31 g/mol
LogP2.78
Rot. Bonds6

About N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (PubChem CID 86894652) has the molecular formula C18H22BrN5O and a molecular weight of 404.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
PubChem CID86894652
Molecular FormulaC18H22BrN5O
Molecular Weight404.31 g/mol
Exact Mass403.10
IUPAC NameN-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC1CCCN1c1cccnn1
InChIInChI=1S/C18H22BrN5O/c1-23(13-18(25)21-16-8-3-2-7-15(16)19)12-14-6-5-11-24(14)17-9-4-10-20-22-17/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,21,25)
InChIKeyRKKKQLGUBMOXRN-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]amino]-N-phenylbenzamide
CID 86894756
N-cyclopentyl-2-[[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]amino]benzamide
CID 86894738
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide
CID 56802082
2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95600282
N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894741
N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide
CID 95600251
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 86894637
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 86894459
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894593
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894726
N-[4-[[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 95600224
4-[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86894645

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (CID 86894652) is N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is CN(CC(=O)Nc1ccccc1Br)CC1CCCN1c1cccnn1.
What is the InChIKey of N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The InChIKey is RKKKQLGUBMOXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O/c1-23(13-18(25)21-16-8-3-2-7-15(16)19)12-14-6-5-11-24(14)17-9-4-10-20-22-17/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,21,25).
What are the key properties of N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide has a molecular weight of 404.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 86894652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).