2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide

C17H22N6O — CID 56802082

IUPAC2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide
SMILESCN(CC(=O)Nc1ccncc1)CC1CCCN1c1cccnn1
InChIInChI=1S/C17H22N6O/c1-22(13-17(24)20-14-6-9-18-10-7-14)12-15-4-3-11-23(15)16-5-2-8-19-21-16/h2,5-10,15H,3-4,11-13H2,1H3,(H,18,20,24)
InChIKeySUTBMYWYHVWVDC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.41
Rot. Bonds6

About 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide

2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide (PubChem CID 56802082) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide
PubChem CID56802082
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide
SMILESCN(CC(=O)Nc1ccncc1)CC1CCCN1c1cccnn1
InChIInChI=1S/C17H22N6O/c1-22(13-17(24)20-14-6-9-18-10-7-14)12-15-4-3-11-23(15)16-5-2-8-19-21-16/h2,5-10,15H,3-4,11-13H2,1H3,(H,18,20,24)
InChIKeySUTBMYWYHVWVDC-UHFFFAOYSA-N
XLogP1.41
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894652
2-[[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]amino]-N-phenylbenzamide
CID 86894756
2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95600282
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 86894459
N-cyclopentyl-2-[[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]amino]benzamide
CID 86894738
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
N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894741
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
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-pyridin-4-ylacetamide
CID 109397956
N-[4-[[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 95600224

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide (CID 56802082) is 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide is CN(CC(=O)Nc1ccncc1)CC1CCCN1c1cccnn1.
What is the InChIKey of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide?
The InChIKey is SUTBMYWYHVWVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22(13-17(24)20-14-6-9-18-10-7-14)12-15-4-3-11-23(15)16-5-2-8-19-21-16/h2,5-10,15H,3-4,11-13H2,1H3,(H,18,20,24).
What are the key properties of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide?
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide has a molecular weight of 326.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 56802082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).