2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide

C19H24N4O3 — CID 70725948

IUPAC2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1O
InChIInChI=1S/C19H24N4O3/c1-13-4-3-5-16(18(13)25)19(26)20-11-14-6-8-23(9-7-14)15-10-17(24)22(2)21-12-15/h3-5,10,12,14,25H,6-9,11H2,1-2H3,(H,20,26)
InChIKeyUNUWOKMTXWDMON-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.44
Rot. Bonds4

About 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide

2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 70725948) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide
PubChem CID70725948
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1O
InChIInChI=1S/C19H24N4O3/c1-13-4-3-5-16(18(13)25)19(26)20-11-14-6-8-23(9-7-14)15-10-17(24)22(2)21-12-15/h3-5,10,12,14,25H,6-9,11H2,1-2H3,(H,20,26)
InChIKeyUNUWOKMTXWDMON-UHFFFAOYSA-N
XLogP1.44
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide (CID 70725948) is 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide is Cc1cccc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is UNUWOKMTXWDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-4-3-5-16(18(13)25)19(26)20-11-14-6-8-23(9-7-14)15-10-17(24)22(2)21-12-15/h3-5,10,12,14,25H,6-9,11H2,1-2H3,(H,20,26).
What are the key properties of 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide?
2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 70725948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).