N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C19H21N3O4 — CID 126934255

IUPACN-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NC1CCC(n2ncccc2=O)CC1)c1cccc2c1OCCO2
InChIInChI=1S/C19H21N3O4/c23-17-5-2-10-20-22(17)14-8-6-13(7-9-14)21-19(24)15-3-1-4-16-18(15)26-12-11-25-16/h1-5,10,13-14H,6-9,11-12H2,(H,21,24)
InChIKeyULPXNRPREJKGIC-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.93
Rot. Bonds3

About N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 126934255) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID126934255
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NC1CCC(n2ncccc2=O)CC1)c1cccc2c1OCCO2
InChIInChI=1S/C19H21N3O4/c23-17-5-2-10-20-22(17)14-8-6-13(7-9-14)21-19(24)15-3-1-4-16-18(15)26-12-11-25-16/h1-5,10,13-14H,6-9,11-12H2,(H,21,24)
InChIKeyULPXNRPREJKGIC-UHFFFAOYSA-N
XLogP1.93
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934286
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934402
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 20544688
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 55100680
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 91631941
5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126934279
N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 138021986
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 124751545
N-(1H-pyrazol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 61283355
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 126934255) is N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(NC1CCC(n2ncccc2=O)CC1)c1cccc2c1OCCO2.
What is the InChIKey of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is ULPXNRPREJKGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17-5-2-10-20-22(17)14-8-6-13(7-9-14)21-19(24)15-3-1-4-16-18(15)26-12-11-25-16/h1-5,10,13-14H,6-9,11-12H2,(H,21,24).
What are the key properties of N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 126934255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).