2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

C17H23N5O3 — CID 70375339

IUPAC2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCNCC(=O)N(C(=O)CNC)c1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C17H23N5O3/c1-11-8-14(23)20-21-17(11)12-4-6-13(7-5-12)22(15(24)9-18-2)16(25)10-19-3/h4-7,11,18-19H,8-10H2,1-3H3,(H,20,23)
InChIKeyWWMWLBSUYNITSW-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.15
Rot. Bonds6

About 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 70375339) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID70375339
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCNCC(=O)N(C(=O)CNC)c1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C17H23N5O3/c1-11-8-14(23)20-21-17(11)12-4-6-13(7-5-12)22(15(24)9-18-2)16(25)10-19-3/h4-7,11,18-19H,8-10H2,1-3H3,(H,20,23)
InChIKeyWWMWLBSUYNITSW-UHFFFAOYSA-N
XLogP-0.15
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 70375339) is 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is CNCC(=O)N(C(=O)CNC)c1ccc(C2=NNC(=O)CC2C)cc1.
What is the InChIKey of 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is WWMWLBSUYNITSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-8-14(23)20-21-17(11)12-4-6-13(7-5-12)22(15(24)9-18-2)16(25)10-19-3/h4-7,11,18-19H,8-10H2,1-3H3,(H,20,23).
What are the key properties of 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 70375339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).