N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide

C13H23N3O3 — CID 54994184

IUPACN-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C13H23N3O3/c1-4-10(5-2)16(8-9-17)13(19)11-6-7-12(18)15(3)14-11/h10,17H,4-9H2,1-3H3
InChIKeyQQNHOBLQZLLXFD-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.60
Rot. Bonds6

About N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide

N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 54994184) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide
PubChem CID54994184
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C13H23N3O3/c1-4-10(5-2)16(8-9-17)13(19)11-6-7-12(18)15(3)14-11/h10,17H,4-9H2,1-3H3
InChIKeyQQNHOBLQZLLXFD-UHFFFAOYSA-N
XLogP0.60
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide (CID 54994184) is N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide is CCC(CC)N(CCO)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QQNHOBLQZLLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-10(5-2)16(8-9-17)13(19)11-6-7-12(18)15(3)14-11/h10,17H,4-9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide?
N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 54994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).