2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide

C18H20N6O2 — CID 90517873

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCc3cccnc3)n2)n1
InChIInChI=1S/C18H20N6O2/c1-12-9-13(2)23(21-12)16-6-7-17(25)24(22-16)14(3)18(26)20-11-15-5-4-8-19-10-15/h4-10,14H,11H2,1-3H3,(H,20,26)
InChIKeyDWCPDYQPUADEMH-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.32
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 90517873) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID90517873
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCc3cccnc3)n2)n1
InChIInChI=1S/C18H20N6O2/c1-12-9-13(2)23(21-12)16-6-7-17(25)24(22-16)14(3)18(26)20-11-15-5-4-8-19-10-15/h4-10,14H,11H2,1-3H3,(H,20,26)
InChIKeyDWCPDYQPUADEMH-UHFFFAOYSA-N
XLogP1.32
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 90518057
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121614
N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 90518053
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 90517991
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 90517884
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
CID 97354779
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 71960670
[1-(benzylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46459431
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517903

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 90517873) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide is Cc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCc3cccnc3)n2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is DWCPDYQPUADEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-9-13(2)23(21-12)16-6-7-17(25)24(22-16)14(3)18(26)20-11-15-5-4-8-19-10-15/h4-10,14H,11H2,1-3H3,(H,20,26).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 352.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 90517873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).