3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide

C19H22N4O2 — CID 124627039

IUPAC3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
SMILESCC(=O)c1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)ccc1C
InChIInChI=1S/C19H22N4O2/c1-13-7-8-15(11-17(13)14(2)24)19(25)21-16-5-4-10-23(12-16)18-6-3-9-20-22-18/h3,6-9,11,16H,4-5,10,12H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyLZIQYAPXWRTQKZ-INIZCTEOSA-N
MW338.41 g/mol
LogP2.39
Rot. Bonds4

About 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide

3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide (PubChem CID 124627039) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
PubChem CID124627039
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
SMILESCC(=O)c1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)ccc1C
InChIInChI=1S/C19H22N4O2/c1-13-7-8-15(11-17(13)14(2)24)19(25)21-16-5-4-10-23(12-16)18-6-3-9-20-22-18/h3,6-9,11,16H,4-5,10,12H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyLZIQYAPXWRTQKZ-INIZCTEOSA-N
XLogP2.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide?
The IUPAC name of 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide (CID 124627039) is 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide.
What is the SMILES notation for 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide?
The canonical SMILES for 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide is CC(=O)c1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)ccc1C.
What is the InChIKey of 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide?
The InChIKey is LZIQYAPXWRTQKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-7-8-15(11-17(13)14(2)24)19(25)21-16-5-4-10-23(12-16)18-6-3-9-20-22-18/h3,6-9,11,16H,4-5,10,12H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide?
3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide is sourced from PubChem (CID 124627039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).