N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

C19H26N4O2 — CID 56882582

IUPACN-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncc(N(C)CCc2ccccc2)cc1=O
InChIInChI=1S/C19H26N4O2/c1-15(2)22(4)19(25)14-23-18(24)12-17(13-20-23)21(3)11-10-16-8-6-5-7-9-16/h5-9,12-13,15H,10-11,14H2,1-4H3
InChIKeySIMDQZDLYMAGRZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.79
Rot. Bonds7

About N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 56882582) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID56882582
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncc(N(C)CCc2ccccc2)cc1=O
InChIInChI=1S/C19H26N4O2/c1-15(2)22(4)19(25)14-23-18(24)12-17(13-20-23)21(3)11-10-16-8-6-5-7-9-16/h5-9,12-13,15H,10-11,14H2,1-4H3
InChIKeySIMDQZDLYMAGRZ-UHFFFAOYSA-N
XLogP1.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (CID 56882582) is N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1ncc(N(C)CCc2ccccc2)cc1=O.
What is the InChIKey of N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is SIMDQZDLYMAGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(2)22(4)19(25)14-23-18(24)12-17(13-20-23)21(3)11-10-16-8-6-5-7-9-16/h5-9,12-13,15H,10-11,14H2,1-4H3.
What are the key properties of N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 342.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56882582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).