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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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).