N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C20H32N4O2 — CID 70779058

IUPACN-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N(C)CC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C20H32N4O2/c1-17-9-10-18(25)24(21-17)15-19(26)22(2)16-20(11-5-3-6-12-20)23-13-7-4-8-14-23/h9-10H,3-8,11-16H2,1-2H3
InChIKeySLBIKZJGRFZUMA-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 70779058) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID70779058
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N(C)CC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C20H32N4O2/c1-17-9-10-18(25)24(21-17)15-19(26)22(2)16-20(11-5-3-6-12-20)23-13-7-4-8-14-23/h9-10H,3-8,11-16H2,1-2H3
InChIKeySLBIKZJGRFZUMA-UHFFFAOYSA-N
XLogP2.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 70779058) is N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is Cc1ccc(=O)n(CC(=O)N(C)CC2(N3CCCCC3)CCCCC2)n1.
What is the InChIKey of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is SLBIKZJGRFZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-17-9-10-18(25)24(21-17)15-19(26)22(2)16-20(11-5-3-6-12-20)23-13-7-4-8-14-23/h9-10H,3-8,11-16H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 70779058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).