N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide

C14H21N3O3 — CID 62527386

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C14H21N3O3/c1-10-4-3-7-14(8-10,9-18)15-13(20)11-5-6-12(19)17(2)16-11/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,15,20)
InChIKeyGWZPOWBOKFDTNO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.45
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 62527386) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID62527386
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C14H21N3O3/c1-10-4-3-7-14(8-10,9-18)15-13(20)11-5-6-12(19)17(2)16-11/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,15,20)
InChIKeyGWZPOWBOKFDTNO-UHFFFAOYSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 62527386) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide is CC1CCCC(CO)(NC(=O)c2ccc(=O)n(C)n2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is GWZPOWBOKFDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-4-3-7-14(8-10,9-18)15-13(20)11-5-6-12(19)17(2)16-11/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,15,20).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 62527386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).